
     Program PWSCF v.6.3MaX starts on 12Nov2018 at 18:36:59 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Serial multi-threaded version, running on    6 processor cores
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum        2425    1205    345               125913    44395    6781



     bravais-lattice index     =            0
     lattice parameter (alat)  =       9.4363  a.u.
     unit-cell volume          =    1302.1287 (a.u.)^3
     number of atoms/cell      =           20
     number of atomic types    =            4
     number of electrons       =       172.00
     number of Kohn-Sham states=          103
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     320.0000  Ry
     convergence threshold     =      1.0E-06
     mixing beta               =       0.4000
     number of iterations used =            8  plain     mixing
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   9.436324  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000   0.000000   0.000000 )  
               a(2) = (   0.000000   1.071660  -0.000001 )  
               a(3) = (   0.000000  -0.000001   1.446067 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000 -0.000000 -0.000000 )  
               b(2) = ( -0.000000  0.933132  0.000001 )  
               b(3) = ( -0.000000  0.000001  0.691531 )  


     PseudoPot. # 1 for Y  read from file:
     /home/ngt/.burai/.pseudopot/y_lda_v1.4.uspp.F.UPF
     MD5 check sum: 386e4c7b01e09a9eff75f26d15d730de
     Pseudo is Ultrasoft + core correction, Zval = 11.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  885 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    1.200   1.200   1.200
                                                       1.200   1.200

     PseudoPot. # 2 for O  read from file:
     /home/ngt/.burai/.pseudopot/o_lda_v1.2.uspp.F.UPF
     MD5 check sum: 194b818514d2a7dbb603bb78519a4f40
     Pseudo is Ultrasoft + core correction, Zval =  6.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  737 points,  5 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.900   0.900   0.900
                                                       0.900   0.900

     PseudoPot. # 3 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     PseudoPot. # 4 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     atomic species   valence    mass     pseudopotential
        Y             11.00    88.90585     Y ( 1.00)
        O              6.00    15.99940     O ( 1.00)
        Cr2           14.00    51.99610     Cr( 1.00)
        Cr1           14.00    51.99610     Cr( 1.00)

     Starting magnetic structure 
     atomic species   magnetization
        Y            0.000
        O            0.000
        Cr2         -0.800
        Cr1          0.800


     Simplified LDA+U calculation (l_max = 2) with parameters (eV):
     atomic species    L          U    alpha       J0     beta
        Cr2            2     1.1302   0.0000   0.0000   0.0000
        Cr1            2     1.1302   0.0000   0.0000   0.0000



      4 Sym. Ops., with inversion, found ( 2 have fractional translation)


                                    s                        frac. trans.

      isym =  1     identity                                     

 cryst.   s( 1) = (     1          0          0      )
                  (     0          1          0      )
                  (     0          0          1      )

 cart.    s( 1) = (  1.0000000  0.0000000  0.0000000 )
                  (  0.0000000  1.0000000 -0.0000000 )
                  (  0.0000000 -0.0000000  1.0000000 )


      isym =  2     180 deg rotation - cart. axis [1,0,0]        

 cryst.   s( 2) = (     1          0          0      )    f =( -0.5000000 )
                  (     0         -1          0      )       ( -0.4999990 )
                  (     0          0         -1      )       (  0.0000000 )

 cart.    s( 2) = (  1.0000000  0.0000000  0.0000000 )    f =( -0.5000000 )
                  (  0.0000000 -1.0000000  0.0000000 )       ( -0.5358289 )
                  (  0.0000000  0.0000000 -1.0000000 )       (  0.0000005 )


      isym =  3     inversion                                    

 cryst.   s( 3) = (    -1          0          0      )
                  (     0         -1          0      )
                  (     0          0         -1      )

 cart.    s( 3) = ( -1.0000000  0.0000000  0.0000000 )
                  (  0.0000000 -1.0000000  0.0000000 )
                  (  0.0000000  0.0000000 -1.0000000 )


      isym =  4     inv. 180 deg rotation - cart. axis [1,0,0]   

 cryst.   s( 4) = (    -1          0          0      )    f =( -0.4999990 )
                  (     0          1          0      )       ( -0.4999990 )
                  (     0          0          1      )       (  0.0000000 )

 cart.    s( 4) = ( -1.0000000  0.0000000  0.0000000 )    f =( -0.4999990 )
                  (  0.0000000  1.0000000 -0.0000000 )       ( -0.5358289 )
                  (  0.0000000 -0.0000000  1.0000000 )       (  0.0000005 )


   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Y   tau(   1) = (   0.0211411   0.9910792   1.0845485  )
         2           Y   tau(   2) = (   0.5211411   0.6164086   0.3615170  )
         3           Y   tau(   3) = (   0.4788579   0.4552503   1.0845489  )
         4           Y   tau(   4) = (   0.9788589   0.0805786   0.3615175  )
         5           Cr2 tau(   5) = (   0.0000000   0.5358294   0.7230330  )
         6           Cr2 tau(   6) = (   0.5000000  -0.0000006   0.7230334  )
         7           Cr1 tau(   7) = (   0.5000000   0.0000000   0.0000000  )
         8           Cr1 tau(   8) = (   0.0000000   0.5358300  -0.0000005  )
         9           O   tau(   9) = (   0.6857106   0.3274652   0.6474219  )
        10           O   tau(  10) = (   0.1857106   0.2083637   0.7986445  )
        11           O   tau(  11) = (   0.8142890   0.8632954   0.0756090  )
        12           O   tau(  12) = (   0.3142890   0.7441935   1.3704565  )
        13           O   tau(  13) = (   0.3142894   0.7441937   0.7986440  )
        14           O   tau(  14) = (   0.8142894   0.8632952   0.6474215  )
        15           O   tau(  15) = (   0.1857110   0.2083635   1.3704569  )
        16           O   tau(  16) = (   0.6857110   0.3274653   0.0756095  )
        17           O   tau(  17) = (   0.1027090   0.5075625   0.3615159  )
        18           O   tau(  18) = (   0.6027090   0.0282663   1.0845505  )
        19           O   tau(  19) = (   0.3972910   1.0433915   0.3615154  )
        20           O   tau(  20) = (   0.8972910   0.5640963   1.0845501  )

   Crystallographic axes

     site n.     atom                  positions (cryst. coord.)
         1           Y   tau(   1) = (  0.0211411  0.9248083  0.7499994  )
         2           Y   tau(   2) = (  0.5211411  0.5751907  0.2500006  )
         3           Y   tau(   3) = (  0.4788579  0.4248093  0.7499994  )
         4           Y   tau(   4) = (  0.9788589  0.0751907  0.2500006  )
         5           Cr2 tau(   5) = (  0.0000000  0.5000000  0.5000000  )
         6           Cr2 tau(   6) = (  0.5000000 -0.0000000  0.5000000  )
         7           Cr1 tau(   7) = (  0.5000000  0.0000000  0.0000000  )
         8           Cr1 tau(   8) = (  0.0000000  0.5000000  0.0000000  )
         9           O   tau(   9) = (  0.6857106  0.3055687  0.4477125  )
        10           O   tau(  10) = (  0.1857106  0.1944313  0.5522875  )
        11           O   tau(  11) = (  0.8142890  0.8055684  0.0522865  )
        12           O   tau(  12) = (  0.3142890  0.6944316  0.9477135  )
        13           O   tau(  13) = (  0.3142894  0.6944313  0.5522875  )
        14           O   tau(  14) = (  0.8142894  0.8055687  0.4477125  )
        15           O   tau(  15) = (  0.1857110  0.1944316  0.9477135  )
        16           O   tau(  16) = (  0.6857110  0.3055684  0.0522865  )
        17           O   tau(  17) = (  0.1027090  0.4736230  0.2499997  )
        18           O   tau(  18) = (  0.6027090  0.0263770  0.7500003  )
        19           O   tau(  19) = (  0.3972910  0.9736220  0.2499997  )
        20           O   tau(  20) = (  0.8972910  0.5263770  0.7500003  )

     number of k points=    33  gaussian smearing, width (Ry)=  0.0100
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000001   0.1383062), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000002   0.2766124), wk =   0.0200000
        k(    4) = (   0.0000000   0.2332829   0.0000002), wk =   0.0200000
        k(    5) = (   0.0000000   0.2332831   0.1383064), wk =   0.0200000
        k(    6) = (   0.0000000   0.2332832   0.2766126), wk =   0.0200000
        k(    7) = (   0.0000000   0.2332827  -0.2766122), wk =   0.0200000
        k(    8) = (   0.0000000   0.2332828  -0.1383060), wk =   0.0200000
        k(    9) = (   0.0000000  -0.4665659  -0.0000004), wk =   0.0100000
        k(   10) = (   0.0000000  -0.4665658   0.1383058), wk =   0.0200000
        k(   11) = (   0.0000000  -0.4665656   0.2766120), wk =   0.0200000
        k(   12) = (   0.2000000   0.0000000   0.0000000), wk =   0.0200000
        k(   13) = (   0.2000000   0.0000001   0.1383062), wk =   0.0400000
        k(   14) = (   0.2000000   0.0000002   0.2766124), wk =   0.0400000
        k(   15) = (   0.2000000   0.2332829   0.0000002), wk =   0.0400000
        k(   16) = (   0.2000000   0.2332831   0.1383064), wk =   0.0400000
        k(   17) = (   0.2000000   0.2332832   0.2766126), wk =   0.0400000
        k(   18) = (   0.2000000   0.2332827  -0.2766122), wk =   0.0400000
        k(   19) = (   0.2000000   0.2332828  -0.1383060), wk =   0.0400000
        k(   20) = (   0.2000000  -0.4665659  -0.0000004), wk =   0.0200000
        k(   21) = (   0.2000000  -0.4665658   0.1383058), wk =   0.0400000
        k(   22) = (   0.2000000  -0.4665656   0.2766120), wk =   0.0400000
        k(   23) = (   0.4000000   0.0000000   0.0000000), wk =   0.0200000
        k(   24) = (   0.4000000   0.0000001   0.1383062), wk =   0.0400000
        k(   25) = (   0.4000000   0.0000002   0.2766124), wk =   0.0400000
        k(   26) = (   0.4000000   0.2332829   0.0000002), wk =   0.0400000
        k(   27) = (   0.4000000   0.2332831   0.1383064), wk =   0.0400000
        k(   28) = (   0.4000000   0.2332832   0.2766126), wk =   0.0400000
        k(   29) = (   0.4000000   0.2332827  -0.2766122), wk =   0.0400000
        k(   30) = (   0.4000000   0.2332828  -0.1383060), wk =   0.0400000
        k(   31) = (   0.4000000  -0.4665659  -0.0000004), wk =   0.0200000
        k(   32) = (   0.4000000  -0.4665658   0.1383058), wk =   0.0400000
        k(   33) = (   0.4000000  -0.4665656   0.2766120), wk =   0.0400000

                       cryst. coord.
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000000   0.2000000), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000000   0.4000000), wk =   0.0200000
        k(    4) = (   0.0000000   0.2500000  -0.0000000), wk =   0.0200000
        k(    5) = (   0.0000000   0.2500000   0.2000000), wk =   0.0200000
        k(    6) = (   0.0000000   0.2500000   0.4000000), wk =   0.0200000
        k(    7) = (   0.0000000   0.2500000  -0.4000000), wk =   0.0200000
        k(    8) = (   0.0000000   0.2500000  -0.2000000), wk =   0.0200000
        k(    9) = (   0.0000000  -0.5000000   0.0000000), wk =   0.0100000
        k(   10) = (   0.0000000  -0.5000000   0.2000000), wk =   0.0200000
        k(   11) = (   0.0000000  -0.5000000   0.4000000), wk =   0.0200000
        k(   12) = (   0.2000000   0.0000000   0.0000000), wk =   0.0200000
        k(   13) = (   0.2000000   0.0000000   0.2000000), wk =   0.0400000
        k(   14) = (   0.2000000   0.0000000   0.4000000), wk =   0.0400000
        k(   15) = (   0.2000000   0.2500000  -0.0000000), wk =   0.0400000
        k(   16) = (   0.2000000   0.2500000   0.2000000), wk =   0.0400000
        k(   17) = (   0.2000000   0.2500000   0.4000000), wk =   0.0400000
        k(   18) = (   0.2000000   0.2500000  -0.4000000), wk =   0.0400000
        k(   19) = (   0.2000000   0.2500000  -0.2000000), wk =   0.0400000
        k(   20) = (   0.2000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   21) = (   0.2000000  -0.5000000   0.2000000), wk =   0.0400000
        k(   22) = (   0.2000000  -0.5000000   0.4000000), wk =   0.0400000
        k(   23) = (   0.4000000   0.0000000   0.0000000), wk =   0.0200000
        k(   24) = (   0.4000000   0.0000000   0.2000000), wk =   0.0400000
        k(   25) = (   0.4000000   0.0000000   0.4000000), wk =   0.0400000
        k(   26) = (   0.4000000   0.2500000  -0.0000000), wk =   0.0400000
        k(   27) = (   0.4000000   0.2500000   0.2000000), wk =   0.0400000
        k(   28) = (   0.4000000   0.2500000   0.4000000), wk =   0.0400000
        k(   29) = (   0.4000000   0.2500000  -0.4000000), wk =   0.0400000
        k(   30) = (   0.4000000   0.2500000  -0.2000000), wk =   0.0400000
        k(   31) = (   0.4000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   32) = (   0.4000000  -0.5000000   0.2000000), wk =   0.0400000
        k(   33) = (   0.4000000  -0.5000000   0.4000000), wk =   0.0400000

     Dense  grid:   125913 G-vectors     FFT dimensions: (  54,  60,  80)

     Smooth grid:    44395 G-vectors     FFT dimensions: (  40,  45,  60)

     Dynamical RAM for                 wfc:       8.74 MB

     Dynamical RAM for     wfc (w. buffer):     585.79 MB

     Dynamical RAM for             U proj.:       1.70 MB

     Dynamical RAM for  U proj. (w. buff.):     113.75 MB

     Dynamical RAM for           str. fact:       7.69 MB

     Dynamical RAM for           local pot:       0.00 MB

     Dynamical RAM for          nlocal pot:      25.47 MB

     Dynamical RAM for                qrad:       8.62 MB

     Dynamical RAM for          rho,v,vnew:      23.39 MB

     Dynamical RAM for               rhoin:       7.80 MB

     Dynamical RAM for            rho*nmix:      61.48 MB

     Dynamical RAM for           G-vectors:       7.54 MB

     Dynamical RAM for          h,s,v(r/c):       0.49 MB

     Dynamical RAM for          <psi|beta>:       0.47 MB

     Dynamical RAM for      wfcinit/wfcrot:      24.22 MB

     Dynamical RAM for           addusdens:     382.33 MB

     Estimated static dynamical RAM per process >     862.99 MB

     Estimated max dynamical RAM per process >       1.22 GB
     Generating pointlists ...
     new r_m :   0.1783 (alat units)  1.6829 (a.u.) for type    1
     new r_m :   0.1555 (alat units)  1.4670 (a.u.) for type    2
     new r_m :   0.1555 (alat units)  1.4670 (a.u.) for type    3
     new r_m :   0.1555 (alat units)  1.4670 (a.u.) for type    4

     Check: negative/imaginary core charge=   -0.000004    0.000000

     Initial potential from superposition of free atoms
     Check: negative starting charge=(component1):   -0.002283
     Check: negative starting charge=(component2):   -0.002283

     starting charge  167.98485, renormalised to  172.00000

     negative rho (up, down):  2.338E-03 2.338E-03
 --- in v_hubbard ---
Hubbard energy    0.0000
 -------
     Number of +U iterations with fixed ns =  0
     Starting occupations:
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
atom    6   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
atom    7   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
atom    8   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
N of occupied +U levels =   20.000000
 --- exit write_ns ---
 Atomic wfc used for LDA+U Projector are NOT orthogonalized
     Starting wfcs are  140 randomized atomic wfcs

     total cpu time spent up to now is       27.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.00E-02,  avg # of iterations =  2.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.59326  3.90869  4.50195
   spin  1
    eigenvalues: 
  0.066  0.070  0.074  0.189  0.195
    eigenvectors:
  0.010  0.195  0.000  0.002  0.793
  0.004  0.777  0.028  0.008  0.183
  0.164  0.024  0.724  0.071  0.017
  0.561  0.002  0.246  0.183  0.008
  0.261  0.002  0.001  0.736  0.000
    occupations:
  0.169  0.048 -0.013  0.008 -0.004
  0.048  0.094 -0.003  0.001 -0.009
 -0.013 -0.003  0.083 -0.012 -0.028
  0.008  0.001 -0.012  0.091  0.045
 -0.004 -0.009 -0.028  0.045  0.156
   spin  2
    eigenvalues: 
  0.476  0.482  0.972  0.987  0.993
    eigenvectors:
  0.746  0.058  0.002  0.111  0.083
  0.164  0.017  0.128  0.318  0.374
  0.022  0.035  0.167  0.534  0.243
  0.029  0.109  0.542  0.027  0.293
  0.040  0.782  0.161  0.010  0.007
    occupations:
  0.577 -0.195  0.042 -0.036  0.019
 -0.195  0.895  0.018 -0.007  0.014
  0.042  0.018  0.957  0.050  0.096
 -0.036 -0.007  0.050  0.911 -0.160
  0.019  0.014  0.096 -0.160  0.569
atomic mag. moment =    -3.315433
atom    6   Tr[ns(na)] (up, down, total) =   0.59326  3.90869  4.50195
   spin  1
    eigenvalues: 
  0.066  0.070  0.074  0.189  0.195
    eigenvectors:
  0.010  0.195  0.000  0.002  0.793
  0.004  0.777  0.028  0.008  0.183
  0.164  0.024  0.724  0.071  0.017
  0.561  0.002  0.246  0.183  0.008
  0.261  0.002  0.001  0.736  0.000
    occupations:
  0.169 -0.048 -0.013  0.008  0.004
 -0.048  0.094  0.003 -0.001 -0.009
 -0.013  0.003  0.083 -0.012  0.028
  0.008 -0.001 -0.012  0.091 -0.045
  0.004 -0.009  0.028 -0.045  0.156
   spin  2
    eigenvalues: 
  0.476  0.482  0.972  0.987  0.993
    eigenvectors:
  0.746  0.058  0.002  0.111  0.083
  0.164  0.017  0.128  0.318  0.374
  0.022  0.035  0.167  0.534  0.243
  0.029  0.109  0.542  0.027  0.293
  0.040  0.782  0.161  0.010  0.007
    occupations:
  0.577  0.195  0.042 -0.036 -0.019
  0.195  0.895 -0.018  0.007  0.014
  0.042 -0.018  0.957  0.050 -0.096
 -0.036  0.007  0.050  0.911  0.160
 -0.019  0.014 -0.096  0.160  0.569
atomic mag. moment =    -3.315433
atom    7   Tr[ns(na)] (up, down, total) =   3.90840  0.59333  4.50173
   spin  1
    eigenvalues: 
  0.476  0.482  0.972  0.987  0.993
    eigenvectors:
  0.744  0.059  0.002  0.111  0.083
  0.163  0.017  0.129  0.315  0.376
  0.022  0.035  0.164  0.537  0.242
  0.029  0.108  0.545  0.027  0.291
  0.041  0.780  0.161  0.010  0.007
    occupations:
  0.577 -0.195 -0.042 -0.036 -0.020
 -0.195  0.895 -0.018 -0.007 -0.014
 -0.042 -0.018  0.957 -0.050  0.096
 -0.036 -0.007 -0.050  0.911  0.160
 -0.020 -0.014  0.096  0.160  0.569
   spin  2
    eigenvalues: 
  0.066  0.070  0.074  0.189  0.195
    eigenvectors:
  0.009  0.196  0.000  0.002  0.793
  0.005  0.775  0.030  0.008  0.183
  0.161  0.026  0.726  0.071  0.017
  0.565  0.001  0.243  0.183  0.008
  0.261  0.001  0.001  0.736  0.000
    occupations:
  0.169  0.048  0.013  0.008  0.004
  0.048  0.094  0.003  0.001  0.009
  0.013  0.003  0.083  0.012 -0.028
  0.008  0.001  0.012  0.091 -0.045
  0.004  0.009 -0.028 -0.045  0.156
atomic mag. moment =     3.315074
atom    8   Tr[ns(na)] (up, down, total) =   3.90840  0.59333  4.50173
   spin  1
    eigenvalues: 
  0.476  0.482  0.972  0.987  0.993
    eigenvectors:
  0.744  0.059  0.002  0.111  0.083
  0.163  0.017  0.129  0.315  0.376
  0.022  0.035  0.164  0.537  0.242
  0.029  0.108  0.545  0.027  0.291
  0.041  0.780  0.161  0.010  0.007
    occupations:
  0.577  0.195 -0.042 -0.036  0.020
  0.195  0.895  0.018  0.007 -0.014
 -0.042  0.018  0.957 -0.050 -0.096
 -0.036  0.007 -0.050  0.911 -0.160
  0.020 -0.014 -0.096 -0.160  0.569
   spin  2
    eigenvalues: 
  0.066  0.070  0.074  0.189  0.195
    eigenvectors:
  0.009  0.196  0.000  0.002  0.793
  0.005  0.775  0.030  0.008  0.183
  0.161  0.026  0.726  0.071  0.017
  0.565  0.001  0.243  0.183  0.008
  0.261  0.001  0.001  0.736  0.000
    occupations:
  0.169 -0.048  0.013  0.008 -0.004
 -0.048  0.094 -0.003 -0.001  0.009
  0.013 -0.003  0.083  0.012  0.028
  0.008 -0.001  0.012  0.091  0.045
 -0.004  0.009  0.028  0.045  0.156
atomic mag. moment =     3.315074
N of occupied +U levels =   18.007362
 --- exit write_ns ---

     negative rho (up, down):  2.593E-03 2.593E-03
 --- in v_hubbard ---
Hubbard energy    0.1748
 -------

     total cpu time spent up to now is      166.0 secs

     total energy              =   -1459.82453941 Ry
     Harris-Foulkes estimate   =   -1458.75222923 Ry
     estimated scf accuracy    <       9.24687274 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    14.83 Bohr mag/cell

     iteration #  2     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  5.38E-03,  avg # of iterations =  3.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.88689  4.23850  5.12539
   spin  1
    eigenvalues: 
  0.102  0.114  0.126  0.272  0.273
    eigenvectors:
  0.023  0.159  0.000  0.002  0.816
  0.005  0.802  0.022  0.002  0.169
  0.273  0.004  0.641  0.073  0.009
  0.458  0.021  0.336  0.184  0.001
  0.241  0.014  0.001  0.739  0.005
    occupations:
  0.244  0.059 -0.016  0.009 -0.005
  0.059  0.141 -0.002 -0.000 -0.010
 -0.016 -0.002  0.132 -0.009 -0.039
  0.009 -0.000 -0.009  0.142  0.061
 -0.005 -0.010 -0.039  0.061  0.228
   spin  2
    eigenvalues: 
  0.631  0.642  0.982  0.990  0.994
    eigenvectors:
  0.673  0.137  0.005  0.079  0.106
  0.141  0.033  0.170  0.206  0.449
  0.030  0.025  0.163  0.657  0.125
  0.044  0.084  0.519  0.048  0.305
  0.112  0.722  0.142  0.010  0.015
    occupations:
  0.701 -0.135  0.030 -0.026  0.012
 -0.135  0.928  0.013 -0.006  0.007
  0.030  0.013  0.970  0.032  0.066
 -0.026 -0.006  0.032  0.942 -0.109
  0.012  0.007  0.066 -0.109  0.697
atomic mag. moment =    -3.351615
atom    6   Tr[ns(na)] (up, down, total) =   0.88689  4.23850  5.12539
   spin  1
    eigenvalues: 
  0.102  0.114  0.126  0.272  0.273
    eigenvectors:
  0.023  0.159  0.000  0.002  0.816
  0.005  0.802  0.022  0.002  0.169
  0.273  0.004  0.641  0.073  0.009
  0.458  0.021  0.336  0.184  0.001
  0.241  0.014  0.001  0.739  0.005
    occupations:
  0.244 -0.059 -0.016  0.009  0.005
 -0.059  0.141  0.002  0.000 -0.010
 -0.016  0.002  0.132 -0.009  0.039
  0.009  0.000 -0.009  0.142 -0.061
  0.005 -0.010  0.039 -0.061  0.228
   spin  2
    eigenvalues: 
  0.631  0.642  0.982  0.990  0.994
    eigenvectors:
  0.673  0.137  0.005  0.079  0.106
  0.141  0.033  0.170  0.206  0.449
  0.030  0.025  0.163  0.657  0.125
  0.044  0.084  0.519  0.048  0.305
  0.112  0.722  0.142  0.010  0.015
    occupations:
  0.701  0.135  0.030 -0.026 -0.012
  0.135  0.928 -0.013  0.006  0.007
  0.030 -0.013  0.970  0.032 -0.066
 -0.026  0.006  0.032  0.942  0.109
 -0.012  0.007 -0.066  0.109  0.697
atomic mag. moment =    -3.351615
atom    7   Tr[ns(na)] (up, down, total) =   4.23949  0.88715  5.12664
   spin  1
    eigenvalues: 
  0.632  0.642  0.982  0.990  0.994
    eigenvectors:
  0.674  0.136  0.005  0.079  0.106
  0.142  0.033  0.171  0.205  0.450
  0.030  0.025  0.163  0.658  0.125
  0.044  0.084  0.520  0.048  0.305
  0.111  0.723  0.142  0.010  0.015
    occupations:
  0.702 -0.135 -0.030 -0.026 -0.012
 -0.135  0.928 -0.013 -0.006 -0.007
 -0.030 -0.013  0.970 -0.032  0.066
 -0.026 -0.006 -0.032  0.942  0.109
 -0.012 -0.007  0.066  0.109  0.698
   spin  2
    eigenvalues: 
  0.102  0.114  0.126  0.272  0.273
    eigenvectors:
  0.024  0.159  0.000  0.003  0.815
  0.006  0.802  0.021  0.002  0.169
  0.274  0.003  0.640  0.074  0.008
  0.456  0.021  0.338  0.184  0.001
  0.241  0.015  0.001  0.738  0.006
    occupations:
  0.244  0.059  0.016  0.009  0.005
  0.059  0.141  0.002 -0.000  0.010
  0.016  0.002  0.132  0.009 -0.039
  0.009 -0.000  0.009  0.142 -0.061
  0.005  0.010 -0.039 -0.061  0.229
atomic mag. moment =     3.352339
atom    8   Tr[ns(na)] (up, down, total) =   4.23949  0.88715  5.12664
   spin  1
    eigenvalues: 
  0.632  0.642  0.982  0.990  0.994
    eigenvectors:
  0.674  0.136  0.005  0.079  0.106
  0.142  0.033  0.171  0.205  0.450
  0.030  0.025  0.163  0.658  0.125
  0.044  0.084  0.520  0.048  0.305
  0.111  0.723  0.142  0.010  0.015
    occupations:
  0.702  0.135 -0.030 -0.026  0.012
  0.135  0.928  0.013  0.006 -0.007
 -0.030  0.013  0.970 -0.032 -0.066
 -0.026  0.006 -0.032  0.942 -0.109
  0.012 -0.007 -0.066 -0.109  0.698
   spin  2
    eigenvalues: 
  0.102  0.114  0.126  0.272  0.273
    eigenvectors:
  0.024  0.159  0.000  0.003  0.815
  0.006  0.802  0.021  0.002  0.169
  0.274  0.003  0.640  0.074  0.008
  0.456  0.021  0.338  0.184  0.001
  0.241  0.015  0.001  0.738  0.006
    occupations:
  0.244 -0.059  0.016  0.009 -0.005
 -0.059  0.141 -0.002  0.000  0.010
  0.016 -0.002  0.132  0.009  0.039
  0.009  0.000  0.009  0.142  0.061
 -0.005  0.010  0.039  0.061  0.229
atomic mag. moment =     3.352339
N of occupied +U levels =   20.504064
 --- exit write_ns ---

     negative rho (up, down):  3.956E-03 3.955E-03
 --- in v_hubbard ---
Hubbard energy    0.1862
 -------

     total cpu time spent up to now is      325.2 secs

     total energy              =   -1461.59377584 Ry
     Harris-Foulkes estimate   =   -1461.10652883 Ry
     estimated scf accuracy    <       2.64441843 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    15.54 Bohr mag/cell

     iteration #  3     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.54E-03,  avg # of iterations =  3.4
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.85470  3.85076  4.70545
   spin  1
    eigenvalues: 
  0.099  0.108  0.119  0.261  0.268
    eigenvectors:
  0.011  0.178  0.000  0.000  0.811
  0.001  0.790  0.033  0.005  0.172
  0.199  0.024  0.694  0.070  0.013
  0.537  0.006  0.272  0.181  0.004
  0.252  0.003  0.000  0.744  0.001
    occupations:
  0.238  0.060 -0.016  0.009 -0.005
  0.060  0.137 -0.003  0.001 -0.011
 -0.016 -0.003  0.126 -0.011 -0.037
  0.009  0.001 -0.011  0.134  0.059
 -0.005 -0.011 -0.037  0.059  0.220
   spin  2
    eigenvalues: 
  0.460  0.464  0.967  0.976  0.983
    eigenvectors:
  0.460  0.339  0.027  0.022  0.152
  0.096  0.088  0.274  0.006  0.536
  0.050  0.012  0.002  0.922  0.014
  0.089  0.054  0.582  0.004  0.270
  0.305  0.507  0.115  0.046  0.027
    occupations:
  0.566 -0.198  0.046 -0.037  0.020
 -0.198  0.883  0.020 -0.006  0.018
  0.046  0.020  0.945  0.048  0.103
 -0.037 -0.006  0.048  0.899 -0.168
  0.020  0.018  0.103 -0.168  0.559
atomic mag. moment =    -2.996058
atom    6   Tr[ns(na)] (up, down, total) =   0.85470  3.85076  4.70545
   spin  1
    eigenvalues: 
  0.099  0.108  0.119  0.261  0.268
    eigenvectors:
  0.011  0.178  0.000  0.000  0.811
  0.001  0.790  0.033  0.005  0.172
  0.199  0.024  0.694  0.070  0.013
  0.537  0.006  0.272  0.181  0.004
  0.252  0.003  0.000  0.744  0.001
    occupations:
  0.238 -0.060 -0.016  0.009  0.005
 -0.060  0.137  0.003 -0.001 -0.011
 -0.016  0.003  0.126 -0.011  0.037
  0.009 -0.001 -0.011  0.134 -0.059
  0.005 -0.011  0.037 -0.059  0.220
   spin  2
    eigenvalues: 
  0.460  0.464  0.967  0.976  0.983
    eigenvectors:
  0.460  0.339  0.027  0.022  0.152
  0.096  0.088  0.274  0.006  0.536
  0.050  0.012  0.002  0.922  0.014
  0.089  0.054  0.582  0.004  0.270
  0.305  0.507  0.115  0.046  0.027
    occupations:
  0.566  0.198  0.046 -0.037 -0.020
  0.198  0.883 -0.020  0.006  0.018
  0.046 -0.020  0.945  0.048 -0.103
 -0.037  0.006  0.048  0.899  0.168
 -0.020  0.018 -0.103  0.168  0.559
atomic mag. moment =    -2.996058
atom    7   Tr[ns(na)] (up, down, total) =   3.84993  0.85441  4.70434
   spin  1
    eigenvalues: 
  0.460  0.464  0.967  0.976  0.983
    eigenvectors:
  0.470  0.329  0.028  0.022  0.152
  0.098  0.086  0.274  0.006  0.536
  0.049  0.013  0.001  0.922  0.015
  0.087  0.056  0.583  0.003  0.270
  0.295  0.516  0.114  0.047  0.027
    occupations:
  0.566 -0.198 -0.046 -0.038 -0.020
 -0.198  0.882 -0.020 -0.006 -0.018
 -0.046 -0.020  0.944 -0.048  0.103
 -0.038 -0.006 -0.048  0.899  0.168
 -0.020 -0.018  0.103  0.168  0.558
   spin  2
    eigenvalues: 
  0.099  0.108  0.119  0.261  0.268
    eigenvectors:
  0.011  0.178  0.000  0.000  0.811
  0.001  0.790  0.032  0.004  0.172
  0.200  0.023  0.694  0.071  0.013
  0.536  0.006  0.273  0.181  0.004
  0.252  0.003  0.000  0.744  0.001
    occupations:
  0.238  0.060  0.016  0.009  0.005
  0.060  0.136  0.003  0.001  0.011
  0.016  0.003  0.126  0.011 -0.037
  0.009  0.001  0.011  0.134 -0.059
  0.005  0.011 -0.037 -0.059  0.220
atomic mag. moment =     2.995517
atom    8   Tr[ns(na)] (up, down, total) =   3.84993  0.85441  4.70434
   spin  1
    eigenvalues: 
  0.460  0.464  0.967  0.976  0.983
    eigenvectors:
  0.470  0.329  0.028  0.022  0.152
  0.098  0.086  0.274  0.006  0.536
  0.049  0.013  0.001  0.922  0.015
  0.087  0.056  0.583  0.003  0.270
  0.295  0.516  0.114  0.047  0.027
    occupations:
  0.566  0.198 -0.046 -0.038  0.020
  0.198  0.882  0.020  0.006 -0.018
 -0.046  0.020  0.944 -0.048 -0.103
 -0.038  0.006 -0.048  0.899 -0.168
  0.020 -0.018 -0.103 -0.168  0.558
   spin  2
    eigenvalues: 
  0.099  0.108  0.119  0.261  0.268
    eigenvectors:
  0.011  0.178  0.000  0.000  0.811
  0.001  0.790  0.032  0.004  0.172
  0.200  0.023  0.694  0.071  0.013
  0.536  0.006  0.273  0.181  0.004
  0.252  0.003  0.000  0.744  0.001
    occupations:
  0.238 -0.060  0.016  0.009 -0.005
 -0.060  0.136 -0.003 -0.001  0.011
  0.016 -0.003  0.126  0.011  0.037
  0.009 -0.001  0.011  0.134  0.059
 -0.005  0.011  0.037  0.059  0.220
atomic mag. moment =     2.995517
N of occupied +U levels =   18.819583
 --- exit write_ns ---

     negative rho (up, down):  6.794E-03 6.795E-03
 --- in v_hubbard ---
Hubbard energy    0.2020
 -------

     total cpu time spent up to now is      485.3 secs

     total energy              =   -1462.61718559 Ry
     Harris-Foulkes estimate   =   -1462.09316101 Ry
     estimated scf accuracy    <       1.34224574 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    13.37 Bohr mag/cell

     iteration #  4     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  7.80E-04,  avg # of iterations =  3.6
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.99098  3.91247  4.90345
   spin  1
    eigenvalues: 
  0.115  0.127  0.142  0.298  0.309
    eigenvectors:
  0.017  0.162  0.000  0.000  0.820
  0.001  0.804  0.028  0.002  0.165
  0.216  0.012  0.694  0.068  0.010
  0.532  0.016  0.277  0.173  0.002
  0.234  0.007  0.000  0.756  0.003
    occupations:
  0.276  0.067 -0.018  0.010 -0.006
  0.067  0.158 -0.003  0.001 -0.010
 -0.018 -0.003  0.148 -0.008 -0.041
  0.010  0.001 -0.008  0.155  0.066
 -0.006 -0.010 -0.041  0.066  0.254
   spin  2
    eigenvalues: 
  0.483  0.490  0.973  0.980  0.986
    eigenvectors:
  0.711  0.093  0.022  0.031  0.142
  0.152  0.028  0.266  0.027  0.527
  0.029  0.033  0.027  0.890  0.021
  0.037  0.104  0.555  0.021  0.284
  0.071  0.742  0.130  0.031  0.026
    occupations:
  0.582 -0.189  0.044 -0.035  0.018
 -0.189  0.892  0.018 -0.006  0.017
  0.044  0.018  0.949  0.046  0.099
 -0.035 -0.006  0.046  0.908 -0.160
  0.018  0.017  0.099 -0.160  0.581
atomic mag. moment =    -2.921491
atom    6   Tr[ns(na)] (up, down, total) =   0.99098  3.91247  4.90345
   spin  1
    eigenvalues: 
  0.115  0.127  0.142  0.298  0.309
    eigenvectors:
  0.017  0.162  0.000  0.000  0.820
  0.001  0.804  0.028  0.002  0.165
  0.216  0.012  0.694  0.068  0.010
  0.532  0.016  0.277  0.173  0.002
  0.234  0.007  0.000  0.756  0.003
    occupations:
  0.276 -0.067 -0.018  0.010  0.006
 -0.067  0.158  0.003 -0.001 -0.010
 -0.018  0.003  0.148 -0.008  0.041
  0.010 -0.001 -0.008  0.155 -0.066
  0.006 -0.010  0.041 -0.066  0.254
   spin  2
    eigenvalues: 
  0.483  0.490  0.973  0.980  0.986
    eigenvectors:
  0.711  0.093  0.022  0.031  0.142
  0.152  0.028  0.266  0.027  0.527
  0.029  0.033  0.027  0.890  0.021
  0.037  0.104  0.555  0.021  0.284
  0.071  0.742  0.130  0.031  0.026
    occupations:
  0.582  0.189  0.044 -0.035 -0.018
  0.189  0.892 -0.018  0.006  0.017
  0.044 -0.018  0.949  0.046 -0.099
 -0.035  0.006  0.046  0.908  0.160
 -0.018  0.017 -0.099  0.160  0.581
atomic mag. moment =    -2.921491
atom    7   Tr[ns(na)] (up, down, total) =   3.91282  0.99126  4.90408
   spin  1
    eigenvalues: 
  0.484  0.490  0.973  0.980  0.986
    eigenvectors:
  0.711  0.093  0.022  0.032  0.142
  0.152  0.028  0.267  0.027  0.526
  0.029  0.033  0.027  0.889  0.022
  0.037  0.104  0.555  0.020  0.284
  0.071  0.742  0.130  0.031  0.026
    occupations:
  0.582 -0.189 -0.044 -0.035 -0.018
 -0.189  0.892 -0.018 -0.006 -0.017
 -0.044 -0.018  0.950 -0.046  0.099
 -0.035 -0.006 -0.046  0.908  0.160
 -0.018 -0.017  0.099  0.160  0.581
   spin  2
    eigenvalues: 
  0.115  0.127  0.142  0.298  0.309
    eigenvectors:
  0.017  0.163  0.000  0.000  0.820
  0.001  0.803  0.028  0.002  0.165
  0.214  0.012  0.697  0.068  0.010
  0.534  0.016  0.275  0.173  0.002
  0.234  0.007  0.000  0.757  0.002
    occupations:
  0.276  0.067  0.018  0.010  0.006
  0.067  0.158  0.003  0.001  0.010
  0.018  0.003  0.149  0.008 -0.041
  0.010  0.001  0.008  0.155 -0.066
  0.006  0.010 -0.041 -0.066  0.254
atomic mag. moment =     2.921558
atom    8   Tr[ns(na)] (up, down, total) =   3.91282  0.99126  4.90408
   spin  1
    eigenvalues: 
  0.484  0.490  0.973  0.980  0.986
    eigenvectors:
  0.711  0.093  0.022  0.032  0.142
  0.152  0.028  0.267  0.027  0.526
  0.029  0.033  0.027  0.889  0.022
  0.037  0.104  0.555  0.020  0.284
  0.071  0.742  0.130  0.031  0.026
    occupations:
  0.582  0.189 -0.044 -0.035  0.018
  0.189  0.892  0.018  0.006 -0.017
 -0.044  0.018  0.950 -0.046 -0.099
 -0.035  0.006 -0.046  0.908 -0.160
  0.018 -0.017 -0.099 -0.160  0.581
   spin  2
    eigenvalues: 
  0.115  0.127  0.142  0.298  0.309
    eigenvectors:
  0.017  0.163  0.000  0.000  0.820
  0.001  0.803  0.028  0.002  0.165
  0.214  0.012  0.697  0.068  0.010
  0.534  0.016  0.275  0.173  0.002
  0.234  0.007  0.000  0.757  0.002
    occupations:
  0.276 -0.067  0.018  0.010 -0.006
 -0.067  0.158 -0.003 -0.001  0.010
  0.018 -0.003  0.149  0.008  0.041
  0.010 -0.001  0.008  0.155  0.066
 -0.006  0.010  0.041  0.066  0.254
atomic mag. moment =     2.921558
N of occupied +U levels =   19.615065
 --- exit write_ns ---

     negative rho (up, down):  7.580E-03 7.580E-03
 --- in v_hubbard ---
Hubbard energy    0.2137
 -------

     total cpu time spent up to now is      661.2 secs

     total energy              =   -1462.78187842 Ry
     Harris-Foulkes estimate   =   -1462.71873599 Ry
     estimated scf accuracy    <       0.10233871 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    13.14 Bohr mag/cell

     iteration #  5     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  5.95E-05,  avg # of iterations =  7.9
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.18119  3.85840  5.03959
   spin  1
    eigenvalues: 
  0.145  0.162  0.180  0.339  0.354
    eigenvectors:
  0.003  0.157  0.000  0.001  0.838
  0.009  0.815  0.026  0.001  0.149
  0.123  0.028  0.775  0.067  0.007
  0.638  0.000  0.196  0.164  0.001
  0.226  0.000  0.004  0.766  0.004
    occupations:
  0.323  0.068 -0.017  0.010 -0.006
  0.068  0.191 -0.002  0.003 -0.011
 -0.017 -0.002  0.187 -0.007 -0.041
  0.010  0.003 -0.007  0.184  0.069
 -0.006 -0.011 -0.041  0.069  0.295
   spin  2
    eigenvalues: 
  0.465  0.472  0.969  0.973  0.980
    eigenvectors:
  0.739  0.066  0.034  0.018  0.143
  0.158  0.021  0.354  0.010  0.457
  0.025  0.037  0.056  0.881  0.000
  0.031  0.113  0.433  0.075  0.347
  0.046  0.763  0.123  0.016  0.053
    occupations:
  0.565 -0.194  0.045 -0.035  0.019
 -0.194  0.884  0.018 -0.007  0.018
  0.045  0.018  0.941  0.047  0.102
 -0.035 -0.007  0.047  0.901 -0.167
  0.019  0.018  0.102 -0.167  0.567
atomic mag. moment =    -2.677210
atom    6   Tr[ns(na)] (up, down, total) =   1.18119  3.85840  5.03959
   spin  1
    eigenvalues: 
  0.145  0.162  0.180  0.339  0.354
    eigenvectors:
  0.003  0.157  0.000  0.001  0.838
  0.009  0.815  0.026  0.001  0.149
  0.123  0.028  0.775  0.067  0.007
  0.638  0.000  0.196  0.164  0.001
  0.226  0.000  0.004  0.766  0.004
    occupations:
  0.323 -0.068 -0.017  0.010  0.006
 -0.068  0.191  0.002 -0.003 -0.011
 -0.017  0.002  0.187 -0.007  0.041
  0.010 -0.003 -0.007  0.184 -0.069
  0.006 -0.011  0.041 -0.069  0.295
   spin  2
    eigenvalues: 
  0.465  0.472  0.969  0.973  0.980
    eigenvectors:
  0.739  0.066  0.034  0.018  0.143
  0.158  0.021  0.354  0.010  0.457
  0.025  0.037  0.056  0.881  0.000
  0.031  0.113  0.433  0.075  0.347
  0.046  0.763  0.123  0.016  0.053
    occupations:
  0.565  0.194  0.045 -0.035 -0.019
  0.194  0.884 -0.018  0.007  0.018
  0.045 -0.018  0.941  0.047 -0.102
 -0.035  0.007  0.047  0.901  0.167
 -0.019  0.018 -0.102  0.167  0.567
atomic mag. moment =    -2.677210
atom    7   Tr[ns(na)] (up, down, total) =   3.85809  1.18037  5.03846
   spin  1
    eigenvalues: 
  0.464  0.471  0.969  0.973  0.980
    eigenvectors:
  0.739  0.066  0.035  0.018  0.143
  0.158  0.021  0.355  0.010  0.456
  0.025  0.037  0.053  0.884  0.000
  0.031  0.113  0.435  0.073  0.348
  0.046  0.762  0.122  0.016  0.053
    occupations:
  0.565 -0.194 -0.045 -0.035 -0.019
 -0.194  0.884 -0.018 -0.007 -0.018
 -0.045 -0.018  0.941 -0.047  0.102
 -0.035 -0.007 -0.047  0.901  0.167
 -0.019 -0.018  0.102  0.167  0.567
   spin  2
    eigenvalues: 
  0.145  0.162  0.180  0.339  0.354
    eigenvectors:
  0.003  0.157  0.000  0.001  0.839
  0.009  0.815  0.026  0.001  0.149
  0.125  0.028  0.773  0.067  0.007
  0.637  0.000  0.197  0.164  0.001
  0.226  0.000  0.004  0.766  0.004
    occupations:
  0.323  0.068  0.017  0.010  0.006
  0.068  0.191  0.003  0.003  0.011
  0.017  0.003  0.187  0.007 -0.041
  0.010  0.003  0.007  0.184 -0.069
  0.006  0.011 -0.041 -0.069  0.295
atomic mag. moment =     2.677716
atom    8   Tr[ns(na)] (up, down, total) =   3.85809  1.18037  5.03846
   spin  1
    eigenvalues: 
  0.464  0.471  0.969  0.973  0.980
    eigenvectors:
  0.739  0.066  0.035  0.018  0.143
  0.158  0.021  0.355  0.010  0.456
  0.025  0.037  0.053  0.884  0.000
  0.031  0.113  0.435  0.073  0.348
  0.046  0.762  0.122  0.016  0.053
    occupations:
  0.565  0.194 -0.045 -0.035  0.019
  0.194  0.884  0.018  0.007 -0.018
 -0.045  0.018  0.941 -0.047 -0.102
 -0.035  0.007 -0.047  0.901 -0.167
  0.019 -0.018 -0.102 -0.167  0.567
   spin  2
    eigenvalues: 
  0.145  0.162  0.180  0.339  0.354
    eigenvectors:
  0.003  0.157  0.000  0.001  0.839
  0.009  0.815  0.026  0.001  0.149
  0.125  0.028  0.773  0.067  0.007
  0.637  0.000  0.197  0.164  0.001
  0.226  0.000  0.004  0.766  0.004
    occupations:
  0.323 -0.068  0.017  0.010 -0.006
 -0.068  0.191 -0.003 -0.003  0.011
  0.017 -0.003  0.187  0.007  0.041
  0.010 -0.003  0.007  0.184  0.069
 -0.006  0.011  0.041  0.069  0.295
atomic mag. moment =     2.677716
N of occupied +U levels =   20.156094
 --- exit write_ns ---

     negative rho (up, down):  7.029E-03 7.030E-03
 --- in v_hubbard ---
Hubbard energy    0.2228
 -------

     total cpu time spent up to now is     1063.3 secs

     total energy              =   -1462.83838874 Ry
     Harris-Foulkes estimate   =   -1462.83854126 Ry
     estimated scf accuracy    <       0.02276118 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    12.08 Bohr mag/cell

     iteration #  6     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.32E-05,  avg # of iterations =  3.8
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.18107  3.82636  5.00743
   spin  1
    eigenvalues: 
  0.145  0.161  0.179  0.340  0.356
    eigenvectors:
  0.003  0.160  0.000  0.001  0.836
  0.011  0.812  0.024  0.001  0.151
  0.119  0.028  0.778  0.067  0.007
  0.640  0.000  0.193  0.165  0.001
  0.227  0.000  0.004  0.765  0.004
    occupations:
  0.324  0.069 -0.017  0.010 -0.006
  0.069  0.191 -0.003  0.003 -0.011
 -0.017 -0.003  0.187 -0.008 -0.041
  0.010  0.003 -0.008  0.184  0.070
 -0.006 -0.011 -0.041  0.070  0.295
   spin  2
    eigenvalues: 
  0.451  0.458  0.968  0.970  0.978
    eigenvectors:
  0.752  0.053  0.041  0.012  0.143
  0.162  0.018  0.380  0.002  0.439
  0.024  0.040  0.032  0.902  0.003
  0.027  0.119  0.433  0.065  0.356
  0.035  0.771  0.115  0.019  0.060
    occupations:
  0.554 -0.198  0.046 -0.036  0.020
 -0.198  0.880  0.018 -0.007  0.019
  0.046  0.018  0.938  0.049  0.105
 -0.036 -0.007  0.049  0.897 -0.172
  0.020  0.019  0.105 -0.172  0.558
atomic mag. moment =    -2.645285
atom    6   Tr[ns(na)] (up, down, total) =   1.18107  3.82636  5.00743
   spin  1
    eigenvalues: 
  0.145  0.161  0.179  0.340  0.356
    eigenvectors:
  0.003  0.160  0.000  0.001  0.836
  0.011  0.812  0.024  0.001  0.151
  0.119  0.028  0.778  0.067  0.007
  0.640  0.000  0.193  0.165  0.001
  0.227  0.000  0.004  0.765  0.004
    occupations:
  0.324 -0.069 -0.017  0.010  0.006
 -0.069  0.191  0.003 -0.003 -0.011
 -0.017  0.003  0.187 -0.008  0.041
  0.010 -0.003 -0.008  0.184 -0.070
  0.006 -0.011  0.041 -0.070  0.295
   spin  2
    eigenvalues: 
  0.451  0.458  0.968  0.970  0.978
    eigenvectors:
  0.752  0.053  0.041  0.012  0.143
  0.162  0.018  0.380  0.002  0.439
  0.024  0.040  0.032  0.902  0.003
  0.027  0.119  0.433  0.065  0.356
  0.035  0.771  0.115  0.019  0.060
    occupations:
  0.554  0.198  0.046 -0.036 -0.020
  0.198  0.880 -0.018  0.007  0.019
  0.046 -0.018  0.938  0.049 -0.105
 -0.036  0.007  0.049  0.897  0.172
 -0.020  0.019 -0.105  0.172  0.558
atomic mag. moment =    -2.645285
atom    7   Tr[ns(na)] (up, down, total) =   3.82673  1.18134  5.00807
   spin  1
    eigenvalues: 
  0.452  0.459  0.968  0.971  0.978
    eigenvectors:
  0.752  0.053  0.041  0.012  0.143
  0.162  0.018  0.379  0.002  0.439
  0.024  0.040  0.033  0.901  0.003
  0.027  0.119  0.431  0.066  0.356
  0.035  0.771  0.116  0.019  0.059
    occupations:
  0.554 -0.198 -0.046 -0.036 -0.020
 -0.198  0.880 -0.018 -0.007 -0.019
 -0.046 -0.018  0.938 -0.049  0.105
 -0.036 -0.007 -0.049  0.897  0.172
 -0.020 -0.019  0.105  0.172  0.558
   spin  2
    eigenvalues: 
  0.145  0.161  0.179  0.340  0.356
    eigenvectors:
  0.003  0.159  0.000  0.001  0.837
  0.011  0.812  0.025  0.001  0.151
  0.119  0.028  0.778  0.067  0.007
  0.641  0.000  0.193  0.165  0.001
  0.226  0.000  0.004  0.765  0.004
    occupations:
  0.324  0.069  0.017  0.010  0.006
  0.069  0.191  0.003  0.003  0.011
  0.017  0.003  0.187  0.008 -0.041
  0.010  0.003  0.008  0.184 -0.070
  0.006  0.011 -0.041 -0.070  0.295
atomic mag. moment =     2.645389
atom    8   Tr[ns(na)] (up, down, total) =   3.82673  1.18134  5.00807
   spin  1
    eigenvalues: 
  0.452  0.459  0.968  0.971  0.978
    eigenvectors:
  0.752  0.053  0.041  0.012  0.143
  0.162  0.018  0.379  0.002  0.439
  0.024  0.040  0.033  0.901  0.003
  0.027  0.119  0.431  0.066  0.356
  0.035  0.771  0.116  0.019  0.059
    occupations:
  0.554  0.198 -0.046 -0.036  0.020
  0.198  0.880  0.018  0.007 -0.019
 -0.046  0.018  0.938 -0.049 -0.105
 -0.036  0.007 -0.049  0.897 -0.172
  0.020 -0.019 -0.105 -0.172  0.558
   spin  2
    eigenvalues: 
  0.145  0.161  0.179  0.340  0.356
    eigenvectors:
  0.003  0.159  0.000  0.001  0.837
  0.011  0.812  0.025  0.001  0.151
  0.119  0.028  0.778  0.067  0.007
  0.641  0.000  0.193  0.165  0.001
  0.226  0.000  0.004  0.765  0.004
    occupations:
  0.324 -0.069  0.017  0.010 -0.006
 -0.069  0.191 -0.003 -0.003  0.011
  0.017 -0.003  0.187  0.008  0.041
  0.010 -0.003  0.008  0.184  0.070
 -0.006  0.011  0.041  0.070  0.295
atomic mag. moment =     2.645389
N of occupied +U levels =   20.030984
 --- exit write_ns ---

     negative rho (up, down):  5.757E-03 5.755E-03
 --- in v_hubbard ---
Hubbard energy    0.2371
 -------

     total cpu time spent up to now is     1247.9 secs

     total energy              =   -1462.84371211 Ry
     Harris-Foulkes estimate   =   -1462.84182240 Ry
     estimated scf accuracy    <       0.00527439 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.92 Bohr mag/cell

     iteration #  7     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  3.07E-06,  avg # of iterations =  4.4
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.18809  3.80420  4.99228
   spin  1
    eigenvalues: 
  0.145  0.161  0.180  0.343  0.359
    eigenvectors:
  0.003  0.159  0.000  0.002  0.837
  0.011  0.811  0.026  0.001  0.151
  0.118  0.030  0.777  0.068  0.007
  0.642  0.000  0.192  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.327  0.070 -0.017  0.010 -0.006
  0.070  0.192 -0.003  0.003 -0.011
 -0.017 -0.003  0.188 -0.008 -0.042
  0.010  0.003 -0.008  0.185  0.070
 -0.006 -0.011 -0.042  0.070  0.297
   spin  2
    eigenvalues: 
  0.442  0.449  0.967  0.969  0.977
    eigenvectors:
  0.744  0.061  0.047  0.008  0.140
  0.160  0.020  0.408  0.000  0.412
  0.025  0.039  0.024  0.904  0.008
  0.030  0.118  0.412  0.069  0.371
  0.042  0.762  0.109  0.019  0.069
    occupations:
  0.547 -0.201  0.047 -0.037  0.020
 -0.201  0.877  0.018 -0.007  0.019
  0.047  0.018  0.936  0.049  0.107
 -0.037 -0.007  0.049  0.894 -0.176
  0.020  0.019  0.107 -0.176  0.551
atomic mag. moment =    -2.616110
atom    6   Tr[ns(na)] (up, down, total) =   1.18809  3.80420  4.99228
   spin  1
    eigenvalues: 
  0.145  0.161  0.180  0.343  0.359
    eigenvectors:
  0.003  0.159  0.000  0.002  0.837
  0.011  0.811  0.026  0.001  0.151
  0.118  0.030  0.777  0.068  0.007
  0.642  0.000  0.192  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.327 -0.070 -0.017  0.010  0.006
 -0.070  0.192  0.003 -0.003 -0.011
 -0.017  0.003  0.188 -0.008  0.042
  0.010 -0.003 -0.008  0.185 -0.070
  0.006 -0.011  0.042 -0.070  0.297
   spin  2
    eigenvalues: 
  0.442  0.449  0.967  0.969  0.977
    eigenvectors:
  0.744  0.061  0.047  0.008  0.140
  0.160  0.020  0.408  0.000  0.412
  0.025  0.039  0.024  0.904  0.008
  0.030  0.118  0.412  0.069  0.371
  0.042  0.762  0.109  0.019  0.069
    occupations:
  0.547  0.201  0.047 -0.037 -0.020
  0.201  0.877 -0.018  0.007  0.019
  0.047 -0.018  0.936  0.049 -0.107
 -0.037  0.007  0.049  0.894  0.176
 -0.020  0.019 -0.107  0.176  0.551
atomic mag. moment =    -2.616110
atom    7   Tr[ns(na)] (up, down, total) =   3.80288  1.18647  4.98935
   spin  1
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.745  0.059  0.048  0.009  0.140
  0.160  0.020  0.412  0.000  0.408
  0.025  0.039  0.027  0.900  0.009
  0.029  0.119  0.404  0.074  0.374
  0.040  0.763  0.109  0.017  0.070
    occupations:
  0.546 -0.202 -0.047 -0.037 -0.020
 -0.202  0.877 -0.018 -0.007 -0.020
 -0.047 -0.018  0.935 -0.049  0.107
 -0.037 -0.007 -0.049  0.894  0.176
 -0.020 -0.020  0.107  0.176  0.551
   spin  2
    eigenvalues: 
  0.145  0.161  0.180  0.342  0.358
    eigenvectors:
  0.003  0.159  0.000  0.002  0.837
  0.010  0.811  0.026  0.001  0.151
  0.119  0.030  0.777  0.068  0.007
  0.641  0.000  0.193  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.326  0.070  0.017  0.010  0.006
  0.070  0.191  0.003  0.003  0.011
  0.017  0.003  0.187  0.008 -0.042
  0.010  0.003  0.008  0.184 -0.070
  0.006  0.011 -0.042 -0.070  0.297
atomic mag. moment =     2.616408
atom    8   Tr[ns(na)] (up, down, total) =   3.80288  1.18647  4.98935
   spin  1
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.745  0.059  0.048  0.009  0.140
  0.160  0.020  0.412  0.000  0.408
  0.025  0.039  0.027  0.900  0.009
  0.029  0.119  0.404  0.074  0.374
  0.040  0.763  0.109  0.017  0.070
    occupations:
  0.546  0.202 -0.047 -0.037  0.020
  0.202  0.877  0.018  0.007 -0.020
 -0.047  0.018  0.935 -0.049 -0.107
 -0.037  0.007 -0.049  0.894 -0.176
  0.020 -0.020 -0.107 -0.176  0.551
   spin  2
    eigenvalues: 
  0.145  0.161  0.180  0.342  0.358
    eigenvectors:
  0.003  0.159  0.000  0.002  0.837
  0.010  0.811  0.026  0.001  0.151
  0.119  0.030  0.777  0.068  0.007
  0.641  0.000  0.193  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.326 -0.070  0.017  0.010 -0.006
 -0.070  0.191 -0.003 -0.003  0.011
  0.017 -0.003  0.187  0.008  0.042
  0.010 -0.003  0.008  0.184  0.070
 -0.006  0.011  0.042  0.070  0.297
atomic mag. moment =     2.616408
N of occupied +U levels =   19.963271
 --- exit write_ns ---

     negative rho (up, down):  5.646E-03 5.651E-03
 --- in v_hubbard ---
Hubbard energy    0.2378
 -------

     total cpu time spent up to now is     1469.3 secs

     total energy              =   -1462.84519007 Ry
     Harris-Foulkes estimate   =   -1462.84547561 Ry
     estimated scf accuracy    <       0.00101978 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.76 Bohr mag/cell

     iteration #  8     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  5.93E-07,  avg # of iterations =  4.2
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.19579  3.80779  5.00357
   spin  1
    eigenvalues: 
  0.146  0.163  0.181  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.837
  0.010  0.814  0.024  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.329  0.070 -0.017  0.010 -0.006
  0.070  0.193 -0.003  0.003 -0.011
 -0.017 -0.003  0.189 -0.008 -0.042
  0.010  0.003 -0.008  0.186  0.071
 -0.006 -0.011 -0.042  0.071  0.299
   spin  2
    eigenvalues: 
  0.444  0.450  0.967  0.969  0.977
    eigenvectors:
  0.736  0.069  0.047  0.010  0.138
  0.158  0.022  0.415  0.001  0.404
  0.026  0.038  0.040  0.888  0.009
  0.032  0.116  0.387  0.086  0.378
  0.048  0.755  0.111  0.014  0.071
    occupations:
  0.548 -0.201  0.046 -0.036  0.020
 -0.201  0.877  0.018 -0.007  0.019
  0.046  0.018  0.936  0.049  0.107
 -0.036 -0.007  0.049  0.894 -0.175
  0.020  0.019  0.107 -0.175  0.552
atomic mag. moment =    -2.612001
atom    6   Tr[ns(na)] (up, down, total) =   1.19579  3.80779  5.00357
   spin  1
    eigenvalues: 
  0.146  0.163  0.181  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.837
  0.010  0.814  0.024  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.005
    occupations:
  0.329 -0.070 -0.017  0.010  0.006
 -0.070  0.193  0.003 -0.003 -0.011
 -0.017  0.003  0.189 -0.008  0.042
  0.010 -0.003 -0.008  0.186 -0.071
  0.006 -0.011  0.042 -0.071  0.299
   spin  2
    eigenvalues: 
  0.444  0.450  0.967  0.969  0.977
    eigenvectors:
  0.736  0.069  0.047  0.010  0.138
  0.158  0.022  0.415  0.001  0.404
  0.026  0.038  0.040  0.888  0.009
  0.032  0.116  0.387  0.086  0.378
  0.048  0.755  0.111  0.014  0.071
    occupations:
  0.548  0.201  0.046 -0.036 -0.020
  0.201  0.877 -0.018  0.007  0.019
  0.046 -0.018  0.936  0.049 -0.107
 -0.036  0.007  0.049  0.894  0.175
 -0.020  0.019 -0.107  0.175  0.552
atomic mag. moment =    -2.612001
atom    7   Tr[ns(na)] (up, down, total) =   3.81018  1.19863  5.00881
   spin  1
    eigenvalues: 
  0.445  0.451  0.968  0.969  0.977
    eigenvectors:
  0.732  0.073  0.047  0.009  0.139
  0.156  0.023  0.411  0.000  0.409
  0.027  0.037  0.030  0.898  0.008
  0.033  0.115  0.402  0.075  0.375
  0.052  0.752  0.110  0.017  0.069
    occupations:
  0.549 -0.201 -0.046 -0.036 -0.020
 -0.201  0.878 -0.018 -0.007 -0.019
 -0.046 -0.018  0.936 -0.049  0.106
 -0.036 -0.007 -0.049  0.895  0.175
 -0.020 -0.019  0.106  0.175  0.552
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.838
  0.010  0.814  0.025  0.001  0.150
  0.119  0.028  0.778  0.068  0.006
  0.642  0.000  0.193  0.164  0.001
  0.225  0.000  0.004  0.765  0.005
    occupations:
  0.330  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.190  0.008 -0.042
  0.010  0.003  0.008  0.186 -0.071
  0.006  0.011 -0.042 -0.071  0.300
atomic mag. moment =     2.611547
atom    8   Tr[ns(na)] (up, down, total) =   3.81018  1.19863  5.00881
   spin  1
    eigenvalues: 
  0.445  0.451  0.968  0.969  0.977
    eigenvectors:
  0.732  0.073  0.047  0.009  0.139
  0.156  0.023  0.411  0.000  0.409
  0.027  0.037  0.030  0.898  0.008
  0.033  0.115  0.402  0.075  0.375
  0.052  0.752  0.110  0.017  0.069
    occupations:
  0.549  0.201 -0.046 -0.036  0.020
  0.201  0.878  0.018  0.007 -0.019
 -0.046  0.018  0.936 -0.049 -0.106
 -0.036  0.007 -0.049  0.895 -0.175
  0.020 -0.019 -0.106 -0.175  0.552
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.838
  0.010  0.814  0.025  0.001  0.150
  0.119  0.028  0.778  0.068  0.006
  0.642  0.000  0.193  0.164  0.001
  0.225  0.000  0.004  0.765  0.005
    occupations:
  0.330 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.190  0.008  0.042
  0.010 -0.003  0.008  0.186  0.071
 -0.006  0.011  0.042  0.071  0.300
atomic mag. moment =     2.611547
N of occupied +U levels =   20.024761
 --- exit write_ns ---

     negative rho (up, down):  5.495E-03 5.490E-03
 --- in v_hubbard ---
Hubbard energy    0.2394
 -------

     total cpu time spent up to now is     1680.5 secs

     total energy              =   -1462.84580893 Ry
     Harris-Foulkes estimate   =   -1462.84572922 Ry
     estimated scf accuracy    <       0.00032305 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.75 Bohr mag/cell

     iteration #  9     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.88E-07,  avg # of iterations =  3.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20103  3.80746  5.00849
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.838
  0.010  0.814  0.025  0.001  0.150
  0.120  0.028  0.778  0.068  0.006
  0.642  0.000  0.193  0.164  0.001
  0.225  0.000  0.004  0.765  0.005
    occupations:
  0.330  0.070 -0.017  0.010 -0.006
  0.070  0.194 -0.003  0.003 -0.011
 -0.017 -0.003  0.190 -0.008 -0.042
  0.010  0.003 -0.008  0.187  0.071
 -0.006 -0.011 -0.042  0.071  0.301
   spin  2
    eigenvalues: 
  0.444  0.449  0.968  0.969  0.977
    eigenvectors:
  0.728  0.077  0.048  0.009  0.138
  0.155  0.024  0.416  0.000  0.405
  0.027  0.037  0.027  0.900  0.009
  0.034  0.114  0.400  0.074  0.378
  0.055  0.748  0.108  0.017  0.071
    occupations:
  0.548 -0.201  0.047 -0.036  0.020
 -0.201  0.878  0.018 -0.007  0.019
  0.047  0.018  0.936  0.049  0.107
 -0.036 -0.007  0.049  0.894 -0.176
  0.020  0.019  0.107 -0.176  0.552
atomic mag. moment =    -2.606426
atom    6   Tr[ns(na)] (up, down, total) =   1.20103  3.80746  5.00849
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.838
  0.010  0.814  0.025  0.001  0.150
  0.120  0.028  0.778  0.068  0.006
  0.642  0.000  0.193  0.164  0.001
  0.225  0.000  0.004  0.765  0.005
    occupations:
  0.330 -0.070 -0.017  0.010  0.006
 -0.070  0.194  0.003 -0.003 -0.011
 -0.017  0.003  0.190 -0.008  0.042
  0.010 -0.003 -0.008  0.187 -0.071
  0.006 -0.011  0.042 -0.071  0.301
   spin  2
    eigenvalues: 
  0.444  0.449  0.968  0.969  0.977
    eigenvectors:
  0.728  0.077  0.048  0.009  0.138
  0.155  0.024  0.416  0.000  0.405
  0.027  0.037  0.027  0.900  0.009
  0.034  0.114  0.400  0.074  0.378
  0.055  0.748  0.108  0.017  0.071
    occupations:
  0.548  0.201  0.047 -0.036 -0.020
  0.201  0.878 -0.018  0.007  0.019
  0.047 -0.018  0.936  0.049 -0.107
 -0.036  0.007  0.049  0.894  0.176
 -0.020  0.019 -0.107  0.176  0.552
atomic mag. moment =    -2.606426
atom    7   Tr[ns(na)] (up, down, total) =   3.80478  1.19787  5.00265
   spin  1
    eigenvalues: 
  0.443  0.449  0.967  0.969  0.977
    eigenvectors:
  0.732  0.072  0.048  0.010  0.138
  0.157  0.023  0.421  0.001  0.399
  0.026  0.037  0.039  0.888  0.010
  0.033  0.115  0.383  0.087  0.382
  0.051  0.752  0.110  0.014  0.072
    occupations:
  0.547 -0.201 -0.047 -0.036 -0.020
 -0.201  0.877 -0.018 -0.007 -0.019
 -0.047 -0.018  0.935 -0.049  0.107
 -0.036 -0.007 -0.049  0.894  0.176
 -0.020 -0.019  0.107  0.176  0.551
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.837
  0.010  0.815  0.024  0.001  0.150
  0.122  0.027  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.329  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.189  0.008 -0.042
  0.010  0.003  0.008  0.186 -0.071
  0.006  0.011 -0.042 -0.071  0.300
atomic mag. moment =     2.606912
atom    8   Tr[ns(na)] (up, down, total) =   3.80478  1.19787  5.00265
   spin  1
    eigenvalues: 
  0.443  0.449  0.967  0.969  0.977
    eigenvectors:
  0.732  0.072  0.048  0.010  0.138
  0.157  0.023  0.421  0.001  0.399
  0.026  0.037  0.039  0.888  0.010
  0.033  0.115  0.383  0.087  0.382
  0.051  0.752  0.110  0.014  0.072
    occupations:
  0.547  0.201 -0.047 -0.036  0.020
  0.201  0.877  0.018  0.007 -0.019
 -0.047  0.018  0.935 -0.049 -0.107
 -0.036  0.007 -0.049  0.894 -0.176
  0.020 -0.019 -0.107 -0.176  0.551
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.345  0.361
    eigenvectors:
  0.003  0.158  0.000  0.002  0.837
  0.010  0.815  0.024  0.001  0.150
  0.122  0.027  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.329 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.189  0.008  0.042
  0.010 -0.003  0.008  0.186  0.071
 -0.006  0.011  0.042  0.071  0.300
atomic mag. moment =     2.606912
N of occupied +U levels =   20.022273
 --- exit write_ns ---

     negative rho (up, down):  5.385E-03 5.386E-03
 --- in v_hubbard ---
Hubbard energy    0.2404
 -------

     total cpu time spent up to now is     1848.7 secs

     total energy              =   -1462.84587269 Ry
     Harris-Foulkes estimate   =   -1462.84588635 Ry
     estimated scf accuracy    <       0.00015293 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.72 Bohr mag/cell

     iteration # 10     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  8.89E-08,  avg # of iterations =  3.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.19935  3.80256  5.00192
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070 -0.017  0.010 -0.006
  0.070  0.193 -0.003  0.003 -0.011
 -0.017 -0.003  0.189 -0.008 -0.042
  0.010  0.003 -0.008  0.186  0.071
 -0.006 -0.011 -0.042  0.071  0.300
   spin  2
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.729  0.076  0.049  0.009  0.138
  0.156  0.024  0.423  0.000  0.397
  0.027  0.037  0.029  0.897  0.010
  0.034  0.115  0.391  0.078  0.382
  0.054  0.749  0.108  0.017  0.073
    occupations:
  0.546 -0.201  0.047 -0.037  0.020
 -0.201  0.877  0.018 -0.007  0.020
  0.047  0.018  0.935  0.050  0.107
 -0.037 -0.007  0.050  0.894 -0.177
  0.020  0.020  0.107 -0.177  0.550
atomic mag. moment =    -2.603210
atom    6   Tr[ns(na)] (up, down, total) =   1.19935  3.80256  5.00192
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070 -0.017  0.010  0.006
 -0.070  0.193  0.003 -0.003 -0.011
 -0.017  0.003  0.189 -0.008  0.042
  0.010 -0.003 -0.008  0.186 -0.071
  0.006 -0.011  0.042 -0.071  0.300
   spin  2
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.729  0.076  0.049  0.009  0.138
  0.156  0.024  0.423  0.000  0.397
  0.027  0.037  0.029  0.897  0.010
  0.034  0.115  0.391  0.078  0.382
  0.054  0.749  0.108  0.017  0.073
    occupations:
  0.546  0.201  0.047 -0.037 -0.020
  0.201  0.877 -0.018  0.007  0.020
  0.047 -0.018  0.935  0.050 -0.107
 -0.037  0.007  0.050  0.894  0.177
 -0.020  0.020 -0.107  0.177  0.550
atomic mag. moment =    -2.603210
atom    7   Tr[ns(na)] (up, down, total) =   3.80299  1.19973  5.00272
   spin  1
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.729  0.075  0.049  0.009  0.138
  0.156  0.024  0.422  0.000  0.398
  0.027  0.037  0.029  0.897  0.010
  0.034  0.115  0.392  0.078  0.382
  0.054  0.749  0.108  0.017  0.073
    occupations:
  0.546 -0.201 -0.047 -0.037 -0.020
 -0.201  0.877 -0.018 -0.007 -0.020
 -0.047 -0.018  0.935 -0.050  0.107
 -0.037 -0.007 -0.050  0.894  0.176
 -0.020 -0.020  0.107  0.176  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.189  0.008 -0.042
  0.010  0.003  0.008  0.186 -0.071
  0.006  0.011 -0.042 -0.071  0.300
atomic mag. moment =     2.603259
atom    8   Tr[ns(na)] (up, down, total) =   3.80299  1.19973  5.00272
   spin  1
    eigenvalues: 
  0.442  0.448  0.967  0.969  0.977
    eigenvectors:
  0.729  0.075  0.049  0.009  0.138
  0.156  0.024  0.422  0.000  0.398
  0.027  0.037  0.029  0.897  0.010
  0.034  0.115  0.392  0.078  0.382
  0.054  0.749  0.108  0.017  0.073
    occupations:
  0.546  0.201 -0.047 -0.037  0.020
  0.201  0.877  0.018  0.007 -0.020
 -0.047  0.018  0.935 -0.050 -0.107
 -0.037  0.007 -0.050  0.894 -0.176
  0.020 -0.020 -0.107 -0.176  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.189  0.008  0.042
  0.010 -0.003  0.008  0.186  0.071
 -0.006  0.011  0.042  0.071  0.300
atomic mag. moment =     2.603259
N of occupied +U levels =   20.009269
 --- exit write_ns ---

     negative rho (up, down):  5.384E-03 5.384E-03
 --- in v_hubbard ---
Hubbard energy    0.2404
 -------

     total cpu time spent up to now is     2017.6 secs

     total energy              =   -1462.84591736 Ry
     Harris-Foulkes estimate   =   -1462.84591570 Ry
     estimated scf accuracy    <       0.00000654 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.71 Bohr mag/cell

     iteration # 11     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  3.80E-09,  avg # of iterations =  5.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20026  3.80250  5.00275
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070 -0.017  0.010 -0.006
  0.070  0.193 -0.003  0.003 -0.011
 -0.017 -0.003  0.190 -0.008 -0.042
  0.010  0.003 -0.008  0.187  0.071
 -0.006 -0.011 -0.042  0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.727  0.078  0.050  0.008  0.137
  0.155  0.024  0.424  0.000  0.397
  0.027  0.037  0.028  0.898  0.011
  0.035  0.114  0.392  0.077  0.382
  0.056  0.747  0.107  0.017  0.073
    occupations:
  0.546 -0.201  0.047 -0.037  0.020
 -0.201  0.877  0.018 -0.007  0.020
  0.047  0.018  0.935  0.050  0.107
 -0.037 -0.007  0.050  0.894 -0.177
  0.020  0.020  0.107 -0.177  0.550
atomic mag. moment =    -2.602240
atom    6   Tr[ns(na)] (up, down, total) =   1.20026  3.80250  5.00275
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070 -0.017  0.010  0.006
 -0.070  0.193  0.003 -0.003 -0.011
 -0.017  0.003  0.190 -0.008  0.042
  0.010 -0.003 -0.008  0.187 -0.071
  0.006 -0.011  0.042 -0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.727  0.078  0.050  0.008  0.137
  0.155  0.024  0.424  0.000  0.397
  0.027  0.037  0.028  0.898  0.011
  0.035  0.114  0.392  0.077  0.382
  0.056  0.747  0.107  0.017  0.073
    occupations:
  0.546  0.201  0.047 -0.037 -0.020
  0.201  0.877 -0.018  0.007  0.020
  0.047 -0.018  0.935  0.050 -0.107
 -0.037  0.007  0.050  0.894  0.177
 -0.020  0.020 -0.107  0.177  0.550
atomic mag. moment =    -2.602240
atom    7   Tr[ns(na)] (up, down, total) =   3.80222  1.19992  5.00214
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.726  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.027  0.037  0.028  0.898  0.011
  0.035  0.114  0.391  0.077  0.383
  0.057  0.746  0.107  0.017  0.073
    occupations:
  0.546 -0.201 -0.047 -0.037 -0.020
 -0.201  0.877 -0.018 -0.007 -0.020
 -0.047 -0.018  0.935 -0.050  0.107
 -0.037 -0.007 -0.050  0.894  0.177
 -0.020 -0.020  0.107  0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.189  0.008 -0.042
  0.010  0.003  0.008  0.186 -0.071
  0.006  0.011 -0.042 -0.071  0.301
atomic mag. moment =     2.602307
atom    8   Tr[ns(na)] (up, down, total) =   3.80222  1.19992  5.00214
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.726  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.027  0.037  0.028  0.898  0.011
  0.035  0.114  0.391  0.077  0.383
  0.057  0.746  0.107  0.017  0.073
    occupations:
  0.546  0.201 -0.047 -0.037  0.020
  0.201  0.877  0.018  0.007 -0.020
 -0.047  0.018  0.935 -0.050 -0.107
 -0.037  0.007 -0.050  0.894 -0.177
  0.020 -0.020 -0.107 -0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.641  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.189  0.008  0.042
  0.010 -0.003  0.008  0.186  0.071
 -0.006  0.011  0.042  0.071  0.301
atomic mag. moment =     2.602307
N of occupied +U levels =   20.009789
 --- exit write_ns ---

     negative rho (up, down):  5.382E-03 5.382E-03
 --- in v_hubbard ---
Hubbard energy    0.2404
 -------

     total cpu time spent up to now is     2298.1 secs

     total energy              =   -1462.84592805 Ry
     Harris-Foulkes estimate   =   -1462.84592781 Ry
     estimated scf accuracy    <       0.00000238 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.70 Bohr mag/cell

     iteration # 12     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     ethr =  1.38E-09,  avg # of iterations =  3.6
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20019  3.80201  5.00220
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070 -0.017  0.010 -0.006
  0.070  0.193 -0.003  0.003 -0.011
 -0.017 -0.003  0.189 -0.008 -0.042
  0.010  0.003 -0.008  0.187  0.071
 -0.006 -0.011 -0.042  0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.076  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546 -0.202  0.047 -0.037  0.020
 -0.202  0.877  0.018 -0.007  0.020
  0.047  0.018  0.935  0.050  0.107
 -0.037 -0.007  0.050  0.894 -0.177
  0.020  0.020  0.107 -0.177  0.550
atomic mag. moment =    -2.601822
atom    6   Tr[ns(na)] (up, down, total) =   1.20019  3.80201  5.00220
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.194  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070 -0.017  0.010  0.006
 -0.070  0.193  0.003 -0.003 -0.011
 -0.017  0.003  0.189 -0.008  0.042
  0.010 -0.003 -0.008  0.187 -0.071
  0.006 -0.011  0.042 -0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.076  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546  0.202  0.047 -0.037 -0.020
  0.202  0.877 -0.018  0.007  0.020
  0.047 -0.018  0.935  0.050 -0.107
 -0.037  0.007  0.050  0.894  0.177
 -0.020  0.020 -0.107  0.177  0.550
atomic mag. moment =    -2.601822
atom    7   Tr[ns(na)] (up, down, total) =   3.80192  1.20004  5.00196
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.027  0.037  0.027  0.898  0.011
  0.035  0.114  0.391  0.077  0.383
  0.057  0.745  0.107  0.017  0.073
    occupations:
  0.546 -0.202 -0.047 -0.037 -0.020
 -0.202  0.877 -0.018 -0.007 -0.020
 -0.047 -0.018  0.935 -0.050  0.107
 -0.037 -0.007 -0.050  0.894  0.177
 -0.020 -0.020  0.107  0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.189  0.008 -0.042
  0.010  0.003  0.008  0.187 -0.071
  0.006  0.011 -0.042 -0.071  0.301
atomic mag. moment =     2.601881
atom    8   Tr[ns(na)] (up, down, total) =   3.80192  1.20004  5.00196
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.079  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.027  0.037  0.027  0.898  0.011
  0.035  0.114  0.391  0.077  0.383
  0.057  0.745  0.107  0.017  0.073
    occupations:
  0.546  0.202 -0.047 -0.037  0.020
  0.202  0.877  0.018  0.007 -0.020
 -0.047  0.018  0.935 -0.050 -0.107
 -0.037  0.007 -0.050  0.894 -0.177
  0.020 -0.020 -0.107 -0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.121  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.189  0.008  0.042
  0.010 -0.003  0.008  0.187  0.071
 -0.006  0.011  0.042  0.071  0.301
atomic mag. moment =     2.601881
N of occupied +U levels =   20.008318
 --- exit write_ns ---

     negative rho (up, down):  5.393E-03 5.394E-03
 --- in v_hubbard ---
Hubbard energy    0.2403
 -------

     total cpu time spent up to now is     2474.1 secs

     total energy              =   -1462.84592887 Ry
     Harris-Foulkes estimate   =   -1462.84592892 Ry
     estimated scf accuracy    <       0.00000122 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.70 Bohr mag/cell

     iteration # 13     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  7.06E-10,  avg # of iterations =  3.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20023  3.80222  5.00245
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.122  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070 -0.017  0.010 -0.006
  0.070  0.193 -0.003  0.003 -0.011
 -0.017 -0.003  0.189 -0.008 -0.042
  0.010  0.003 -0.008  0.187  0.071
 -0.006 -0.011 -0.042  0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.080  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.077  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546 -0.201  0.047 -0.037  0.020
 -0.201  0.877  0.018 -0.007  0.020
  0.047  0.018  0.935  0.050  0.107
 -0.037 -0.007  0.050  0.894 -0.177
  0.020  0.020  0.107 -0.177  0.550
atomic mag. moment =    -2.601990
atom    6   Tr[ns(na)] (up, down, total) =   1.20023  3.80222  5.00245
   spin  1
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.122  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070 -0.017  0.010  0.006
 -0.070  0.193  0.003 -0.003 -0.011
 -0.017  0.003  0.189 -0.008  0.042
  0.010 -0.003 -0.008  0.187 -0.071
  0.006 -0.011  0.042 -0.071  0.301
   spin  2
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.080  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.077  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546  0.201  0.047 -0.037 -0.020
  0.201  0.877 -0.018  0.007  0.020
  0.047 -0.018  0.935  0.050 -0.107
 -0.037  0.007  0.050  0.894  0.177
 -0.020  0.020 -0.107  0.177  0.550
atomic mag. moment =    -2.601990
atom    7   Tr[ns(na)] (up, down, total) =   3.80225  1.20023  5.00248
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.080  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.077  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546 -0.201 -0.047 -0.037 -0.020
 -0.201  0.877 -0.018 -0.007 -0.020
 -0.047 -0.018  0.935 -0.050  0.107
 -0.037 -0.007 -0.050  0.894  0.177
 -0.020 -0.020  0.107  0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.122  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330  0.070  0.017  0.010  0.006
  0.070  0.193  0.003  0.003  0.011
  0.017  0.003  0.189  0.008 -0.042
  0.010  0.003  0.008  0.187 -0.071
  0.006  0.011 -0.042 -0.071  0.301
atomic mag. moment =     2.602011
atom    8   Tr[ns(na)] (up, down, total) =   3.80225  1.20023  5.00248
   spin  1
    eigenvalues: 
  0.442  0.447  0.967  0.969  0.977
    eigenvectors:
  0.725  0.080  0.050  0.008  0.137
  0.155  0.025  0.424  0.000  0.396
  0.028  0.037  0.027  0.898  0.011
  0.035  0.114  0.392  0.077  0.383
  0.058  0.745  0.107  0.017  0.073
    occupations:
  0.546  0.201 -0.047 -0.037  0.020
  0.201  0.877  0.018  0.007 -0.020
 -0.047  0.018  0.935 -0.050 -0.107
 -0.037  0.007 -0.050  0.894 -0.177
  0.020 -0.020 -0.107 -0.177  0.550
   spin  2
    eigenvalues: 
  0.147  0.163  0.182  0.346  0.362
    eigenvectors:
  0.003  0.157  0.000  0.002  0.837
  0.010  0.815  0.025  0.001  0.150
  0.122  0.028  0.777  0.068  0.006
  0.640  0.000  0.195  0.164  0.001
  0.226  0.000  0.004  0.765  0.006
    occupations:
  0.330 -0.070  0.017  0.010 -0.006
 -0.070  0.193 -0.003 -0.003  0.011
  0.017 -0.003  0.189  0.008  0.042
  0.010 -0.003  0.008  0.187  0.071
 -0.006  0.011  0.042  0.071  0.301
atomic mag. moment =     2.602011
N of occupied +U levels =   20.009853
 --- exit write_ns ---

     negative rho (up, down):  5.397E-03 5.397E-03
 --- in v_hubbard ---
Hubbard energy    0.2402
 -------

     Magnetic moment per site:
     atom:    1    charge:    6.9847    magn:    0.0000    constr:    0.0000
     atom:    2    charge:    6.9847    magn:    0.0000    constr:    0.0000
     atom:    3    charge:    6.9847    magn:    0.0000    constr:    0.0000
     atom:    4    charge:    6.9847    magn:    0.0000    constr:    0.0000
     atom:    5    charge:   10.6814    magn:   -2.1743    constr:    0.0000
     atom:    6    charge:   10.6814    magn:   -2.1743    constr:    0.0000
     atom:    7    charge:   10.6814    magn:    2.1743    constr:    0.0000
     atom:    8    charge:   10.6814    magn:    2.1743    constr:    0.0000
     atom:    9    charge:    5.2826    magn:   -0.0357    constr:    0.0000
     atom:   10    charge:    5.2826    magn:   -0.0357    constr:    0.0000
     atom:   11    charge:    5.2826    magn:    0.0357    constr:    0.0000
     atom:   12    charge:    5.2826    magn:    0.0357    constr:    0.0000
     atom:   13    charge:    5.2826    magn:   -0.0357    constr:    0.0000
     atom:   14    charge:    5.2826    magn:   -0.0357    constr:    0.0000
     atom:   15    charge:    5.2826    magn:    0.0357    constr:    0.0000
     atom:   16    charge:    5.2826    magn:    0.0357    constr:    0.0000
     atom:   17    charge:    5.3129    magn:   -0.0000    constr:    0.0000
     atom:   18    charge:    5.3129    magn:   -0.0000    constr:    0.0000
     atom:   19    charge:    5.3129    magn:   -0.0000    constr:    0.0000
     atom:   20    charge:    5.3129    magn:   -0.0000    constr:    0.0000

     total cpu time spent up to now is     2631.9 secs

     End of self-consistent calculation

 ------ SPIN UP ------------


          k = 0.0000 0.0000 0.0000 (  5569 PWs)   bands (ev):

   -57.1951 -57.1939 -54.3998 -54.3983 -28.9808 -28.9719 -28.9536 -28.9318
   -28.9171 -28.9064 -26.4406 -26.3744 -26.3578 -26.3074 -26.2715 -26.2588
   -26.2390 -26.2357 -26.1998 -26.1816  -7.8168  -7.6246  -7.5735  -7.5624
    -7.3580  -6.9921  -6.7125  -6.6960  -6.6199  -6.5580  -6.5568  -6.4568
    -4.9567  -3.9082  -3.5476  -3.3847  -3.3124  -3.0633  -2.9566  -2.7988
    -2.6710  -2.6337  -2.1215  -2.0288   7.3218   7.4895   7.7170   7.7499
     8.4416   8.4438   8.6148   8.6201   8.7511   8.9877   9.1248   9.2026
     9.3925   9.4597   9.7259   9.8610   9.9488   9.9548   9.9702  10.1012
    10.2840  10.5911  10.7583  10.7678  10.9616  11.1785  11.1959  11.3773
    11.3989  11.5414  11.7749  12.0298  12.3226  12.4847  12.5159  12.6123
    13.2456  13.7331  14.0174  14.5710  14.8449  15.1223  16.4154  16.5480
    16.7315  16.9365  17.1457  17.3998  18.0283  18.2106  18.2635  18.8303
    19.1414  19.2697  19.4230  19.4384  19.4869  19.8369  19.9830

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1383 (  5575 PWs)   bands (ev):

   -57.1951 -57.1939 -54.3998 -54.3983 -28.9808 -28.9719 -28.9536 -28.9318
   -28.9171 -28.9064 -26.4456 -26.3671 -26.3600 -26.3028 -26.2724 -26.2591
   -26.2392 -26.2364 -26.2007 -26.1835  -7.7427  -7.6261  -7.5730  -7.5522
    -7.3807  -6.9324  -6.8727  -6.6920  -6.6320  -6.5582  -6.5559  -6.4997
    -4.7802  -3.8499  -3.6749  -3.4175  -3.3354  -3.1115  -2.9486  -2.7277
    -2.6607  -2.5627  -2.1570  -2.0886   7.4214   7.5721   7.7838   7.8476
     8.4465   8.4479   8.6350   8.6649   8.7458   8.8993   9.0891   9.1884
     9.3529   9.4308   9.6183   9.7408   9.8590   9.9279  10.0105  10.2033
    10.3056  10.3688  10.5902  10.9319  11.1063  11.1151  11.2370  11.3866
    11.3923  11.7412  11.7998  12.0480  12.3013  12.3141  12.3881  12.4520
    13.2595  13.8709  14.0990  14.5797  14.9064  15.0914  16.4131  16.6262
    16.7507  17.0584  17.1001  17.4124  17.9637  18.1280  18.2852  18.8114
    19.1515  19.2178  19.2590  19.4380  19.4622  19.6630  19.9908

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2766 (  5542 PWs)   bands (ev):

   -57.1951 -57.1939 -54.3998 -54.3983 -28.9808 -28.9718 -28.9536 -28.9318
   -28.9170 -28.9064 -26.4523 -26.3631 -26.3565 -26.2949 -26.2746 -26.2595
   -26.2398 -26.2378 -26.2021 -26.1865  -7.6195  -7.5977  -7.5479  -7.4797
    -7.4395  -7.1998  -6.7867  -6.6791  -6.6579  -6.6201  -6.5581  -6.5550
    -4.3995  -3.9939  -3.7035  -3.5349  -3.3196  -3.2238  -2.8799  -2.7766
    -2.4752  -2.4094  -2.2590  -2.2511   7.5878   7.7539   7.9146   8.0894
     8.3997   8.4655   8.5897   8.6176   8.8232   8.8911   9.0424   9.0798
     9.2541   9.3864   9.5092   9.5380   9.6315   9.7944  10.0401  10.2056
    10.3092  10.4175  10.7346  10.8358  11.0224  11.1921  11.3430  11.5724
    11.6060  11.6901  11.7776  11.8885  12.0636  12.1927  12.3156  12.3626
    13.2825  14.0635  14.2255  14.6006  14.9894  15.0398  16.3974  16.6840
    16.8023  16.9654  17.3778  17.4329  17.8726  17.9522  18.4046  18.7757
    18.9019  19.1582  19.3752  19.4834  19.5076  19.7055  19.8940

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.0000 (  5566 PWs)   bands (ev):

   -57.1949 -57.1941 -54.3996 -54.3985 -28.9793 -28.9729 -28.9504 -28.9350
   -28.9160 -28.9086 -26.4325 -26.3816 -26.3677 -26.3134 -26.2587 -26.2544
   -26.2347 -26.2326 -26.2015 -26.1889  -7.7006  -7.6023  -7.5024  -7.4350
    -7.2677  -7.1190  -6.8799  -6.8591  -6.7441  -6.7371  -6.6726  -6.4865
    -4.4414  -3.6531  -3.4317  -3.3093  -3.1665  -3.1267  -2.9132  -2.8605
    -2.8072  -2.6244  -2.3234  -2.2153   7.5424   7.7814   7.8269   7.9966
     8.4175   8.4929   8.6249   8.6630   8.6747   8.7992   8.9675   8.9938
     9.1048   9.2993   9.4428   9.6229   9.7037   9.8627  10.1667  10.4062
    10.5606  10.6054  10.8144  10.9262  10.9566  11.2006  11.2462  11.2684
    11.3216  11.3936  11.7371  11.7682  12.0570  12.1727  12.3380  12.3492
    13.8304  14.0245  14.1712  14.7422  14.7919  14.9439  16.7478  16.7869
    16.8928  16.9953  17.2053  17.5860  17.7902  18.1017  18.2212  18.6714
    18.7031  19.4243  19.4346  19.5467  19.6363  19.7037  19.8937

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.1383 (  5559 PWs)   bands (ev):

   -57.1949 -57.1941 -54.3996 -54.3985 -28.9792 -28.9728 -28.9504 -28.9350
   -28.9160 -28.9086 -26.4384 -26.3828 -26.3590 -26.3116 -26.2575 -26.2548
   -26.2355 -26.2333 -26.2024 -26.1907  -7.6374  -7.5940  -7.4776  -7.4639
    -7.2908  -7.0465  -6.9377  -6.8517  -6.7686  -6.7558  -6.7087  -6.5375
    -4.3118  -3.5969  -3.4332  -3.4194  -3.2075  -3.0510  -2.9559  -2.8085
    -2.7553  -2.6666  -2.3622  -2.2615   7.5959   7.8855   7.9216   8.1008
     8.4127   8.4348   8.4918   8.6859   8.7397   8.8332   8.9507   9.1016
     9.2350   9.3523   9.3552   9.5461   9.5517   9.8070  10.0436  10.2563
    10.3716  10.5099  10.9129  10.9268  11.1120  11.1918  11.1921  11.3469
    11.4496  11.5196  11.6321  11.6978  12.0723  12.1093  12.2515  12.3358
    13.8492  14.0922  14.2066  14.7339  14.8454  14.9045  16.7964  16.8621
    16.9133  17.1208  17.1984  17.6053  17.7425  18.0374  18.2034  18.6674
    18.6965  19.1358  19.4274  19.5026  19.5668  19.8730  19.8790

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.2766 (  5566 PWs)   bands (ev):

   -57.1950 -57.1941 -54.3996 -54.3985 -28.9792 -28.9728 -28.9504 -28.9350
   -28.9160 -28.9086 -26.4406 -26.3807 -26.3559 -26.3160 -26.2552 -26.2547
   -26.2347 -26.2323 -26.2034 -26.1928  -7.5651  -7.5185  -7.4788  -7.4013
    -7.3465  -7.1586  -6.8786  -6.8304  -6.7941  -6.7693  -6.7462  -6.6804
    -4.0108  -3.6878  -3.4689  -3.3878  -3.2560  -3.1134  -2.9524  -2.8183
    -2.6073  -2.6050  -2.4661  -2.3925   7.7138   8.0671   8.0817   8.2086
     8.3104   8.3921   8.6518   8.7222   8.7602   8.8587   8.9931   9.1204
     9.1881   9.2549   9.3847   9.4588   9.5113   9.8129   9.9496   9.9555
    10.0592  10.3480  10.8547  11.0491  11.0786  11.2252  11.2635  11.3673
    11.5728  11.6037  11.6134  11.7660  11.9476  12.1158  12.1338  12.2861
    13.8623  14.2358  14.2555  14.7501  14.8638  14.8962  16.7837  16.8504
    17.0249  17.0475  17.5147  17.5737  17.7530  17.8351  18.2745  18.6582
    18.6666  18.9610  19.4719  19.5178  19.6448  19.7381  19.8945

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333-0.2766 (  5566 PWs)   bands (ev):

   -57.1950 -57.1941 -54.3996 -54.3985 -28.9792 -28.9728 -28.9504 -28.9350
   -28.9160 -28.9086 -26.4367 -26.3778 -26.3621 -26.3207 -26.2553 -26.2543
   -26.2332 -26.2309 -26.2030 -26.1923  -7.5684  -7.5149  -7.4745  -7.4109
    -7.3359  -7.1658  -6.8768  -6.8311  -6.7901  -6.7739  -6.7401  -6.6859
    -4.0163  -3.6735  -3.4879  -3.3283  -3.2997  -3.1109  -2.9552  -2.8561
    -2.6155  -2.5503  -2.4566  -2.4154   7.7194   7.9774   8.0735   8.1893
     8.3920   8.5446   8.6546   8.6770   8.7805   8.8345   8.9722   9.1042
     9.1197   9.2860   9.3448   9.3772   9.5351   9.8158   9.9188  10.1514
    10.1871  10.2111  10.7879  11.0458  11.0470  11.1693  11.2815  11.4035
    11.5441  11.6083  11.6438  11.7894  11.9972  12.0839  12.1397  12.2778
    13.8507  14.2338  14.2522  14.7715  14.8776  14.8893  16.7860  16.8349
    16.9974  17.0398  17.4492  17.5745  17.7537  17.8494  18.3015  18.6577
    18.6578  19.0843  19.4960  19.5785  19.6254  19.8549  19.8744

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333-0.1383 (  5559 PWs)   bands (ev):

   -57.1949 -57.1941 -54.3996 -54.3985 -28.9792 -28.9728 -28.9504 -28.9350
   -28.9160 -28.9086 -26.4311 -26.3785 -26.3699 -26.3191 -26.2572 -26.2541
   -26.2334 -26.2312 -26.2018 -26.1898  -7.6360  -7.5960  -7.4781  -7.4613
    -7.2895  -7.0448  -6.9439  -6.8524  -6.7715  -6.7542  -6.7024  -6.5410
    -4.3132  -3.6032  -3.4069  -3.4057  -3.2123  -3.0773  -2.9619  -2.8535
    -2.7574  -2.6102  -2.3557  -2.2711   7.5883   7.8821   7.8938   8.0478
     8.4677   8.5757   8.5930   8.6246   8.8041   8.8236   8.8830   8.9381
     9.1797   9.3003   9.3953   9.4936   9.5741   9.9915  10.0195  10.3561
    10.4194  10.4547  10.8167  10.9003  11.0512  11.0946  11.2443  11.4094
    11.4610  11.4967  11.6293  11.7093  12.0882  12.1230  12.2905  12.3251
    13.8305  14.1243  14.1692  14.7649  14.8282  14.9263  16.7959  16.8017
    16.9136  17.0796  17.1717  17.5914  17.7641  18.0184  18.2502  18.6734
    18.6849  19.3498  19.4957  19.5346  19.6296  19.8349  19.8710

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666-0.0000 (  5576 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9758 -28.9757 -28.9427 -28.9427
   -28.9129 -28.9129 -26.4125 -26.4125 -26.3427 -26.3427 -26.2487 -26.2487
   -26.2266 -26.2266 -26.2021 -26.2020  -7.4629  -7.4628  -7.4132  -7.4132
    -7.1582  -7.1582  -7.0989  -7.0989  -6.9898  -6.9897  -6.5759  -6.5759
    -3.5478  -3.5478  -3.3664  -3.3664  -3.2107  -3.2106  -2.8079  -2.8078
    -2.6873  -2.6872  -2.6032  -2.6032   7.9485   7.9485   8.0095   8.0096
     8.3643   8.3644   8.5956   8.5956   8.7473   8.7474   8.9468   8.9468
     9.3040   9.3040   9.4352   9.4352   9.7383   9.7383   9.9288   9.9288
    10.5758  10.5758  10.6599  10.6599  10.9016  10.9016  11.3869  11.3870
    11.6144  11.6144  11.7309  11.7310  11.7597  11.7597  12.3061  12.3061
    14.4159  14.4159  14.5387  14.5388  14.6021  14.6021  16.9766  16.9766
    17.3464  17.3464  17.5153  17.5153  17.6009  17.6009  18.0886  18.0888
    19.0849  19.0850  19.6421  19.6422  19.8844  19.8859  20.1367

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666 0.1383 (  5580 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9758 -28.9757 -28.9427 -28.9427
   -28.9129 -28.9128 -26.4132 -26.4093 -26.3478 -26.3416 -26.2491 -26.2483
   -26.2262 -26.2247 -26.2026 -26.2025  -7.4720  -7.4590  -7.3653  -7.3459
    -7.1628  -7.1561  -7.0973  -7.0972  -7.0027  -6.9990  -6.6494  -6.6461
    -3.4976  -3.4847  -3.3103  -3.3035  -3.1579  -3.1439  -2.8848  -2.8780
    -2.7580  -2.7080  -2.6607  -2.6247   7.8685   7.9027   8.1359   8.1997
     8.4197   8.4584   8.5639   8.6074   8.7321   8.7896   9.0357   9.0827
     9.1932   9.3008   9.4280   9.4907   9.5390   9.8273   9.8337   9.9098
    10.2904  10.3804  10.5047  10.5111  11.0506  11.0516  11.3988  11.4625
    11.5711  11.6371  11.6597  11.6863  11.8732  11.8978  12.2412  12.2887
    14.4382  14.4418  14.4692  14.5728  14.6152  14.6318  17.0999  17.1511
    17.2948  17.3034  17.4942  17.5001  17.5828  17.6753  18.0404  18.0422
    18.9799  19.1352  19.5244  19.5925  19.7488  19.9470  20.1767

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666 0.2766 (  5576 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9757 -28.9757 -28.9427 -28.9427
   -28.9129 -28.9128 -26.4106 -26.4080 -26.3499 -26.3459 -26.2489 -26.2484
   -26.2239 -26.2229 -26.2036 -26.2035  -7.4268  -7.4116  -7.3577  -7.3380
    -7.1136  -7.1055  -7.0875  -7.0870  -6.9884  -6.9795  -6.8250  -6.8191
    -3.3523  -3.3338  -3.2188  -3.2053  -3.0454  -3.0227  -3.0117  -2.9925
    -2.8830  -2.7886  -2.7813  -2.7235   7.9392   7.9451   8.0694   8.1586
     8.5259   8.6548   8.7179   8.7989   8.8540   9.0574   9.0595   9.1085
     9.1469   9.2170   9.4135   9.4690   9.5473   9.7375   9.7710   9.7902
    10.0115  10.0322  10.1140  10.2081  11.2779  11.3081  11.4010  11.4745
    11.5670  11.5937  11.6273  11.6373  12.0477  12.0714  12.1425  12.2060
    14.4360  14.4548  14.5250  14.5726  14.6396  14.6453  17.1952  17.2015
    17.3248  17.3556  17.4776  17.4874  17.6870  17.7331  17.9563  17.9844
    18.9337  19.0414  19.3744  19.4256  19.8217  19.9597  20.1311

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5557 PWs)   bands (ev):

   -57.1950 -57.1940 -54.3996 -54.3984 -28.9796 -28.9723 -28.9520 -28.9344
   -28.9162 -28.9077 -26.4303 -26.3795 -26.3607 -26.3338 -26.2646 -26.2410
   -26.2356 -26.2333 -26.1993 -26.1872  -7.7434  -7.6780  -7.5746  -7.3760
    -7.3084  -7.0969  -6.9934  -6.8040  -6.6496  -6.6433  -6.6081  -6.4669
    -4.5792  -3.7272  -3.3908  -3.3681  -3.2382  -3.2195  -2.8096  -2.7922
    -2.6606  -2.6584  -2.1978  -2.1971   7.4773   7.6514   7.7355   7.7779
     8.2217   8.4205   8.6525   8.6894   8.7691   9.0227   9.0725   9.1084
     9.3829   9.4030   9.5255   9.6852   9.8363   9.8548   9.9680  10.0060
    10.6184  10.6249  10.7724  10.8551  10.8947  11.0816  11.0934  11.4167
    11.5737  11.6100  11.6400  11.7966  11.9395  12.2979  12.3058  12.4032
    13.5704  13.9442  14.1680  14.7232  14.8000  14.9966  16.5242  16.6826
    16.8850  16.9812  17.2514  17.6013  17.8313  18.1000  18.1941  18.7820
    19.0206  19.1696  19.2108  19.5746  19.7963  19.8523  20.0085

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1383 (  5569 PWs)   bands (ev):

   -57.1950 -57.1940 -54.3996 -54.3984 -28.9796 -28.9723 -28.9520 -28.9344
   -28.9162 -28.9077 -26.4348 -26.3738 -26.3627 -26.3302 -26.2657 -26.2416
   -26.2360 -26.2330 -26.1996 -26.1884  -7.6888  -7.6454  -7.5797  -7.3855
    -7.3350  -7.0751  -6.9808  -6.8229  -6.7533  -6.6386  -6.5935  -6.5101
    -4.4399  -3.6765  -3.4798  -3.3832  -3.2575  -3.2241  -2.8591  -2.7418
    -2.6933  -2.5707  -2.2436  -2.2220   7.5570   7.7189   7.7923   7.8417
     8.2878   8.4099   8.6391   8.7213   8.8000   8.9677   9.0701   9.1381
     9.3180   9.3848   9.5036   9.5855   9.7470   9.8539   9.9481  10.1527
    10.3725  10.4770  10.6504  10.8339  10.9366  11.1964  11.2295  11.4511
    11.5271  11.6404  11.6936  11.7830  11.9631  12.1488  12.2444  12.3969
    13.5833  14.0190  14.2223  14.7288  14.8567  14.9641  16.5182  16.7711
    16.9037  17.1433  17.1934  17.6053  17.7732  18.0294  18.2216  18.7838
    19.0013  19.1773  19.2417  19.4176  19.7658  19.8879  20.0293

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2766 (  5562 PWs)   bands (ev):

   -57.1950 -57.1940 -54.3996 -54.3984 -28.9795 -28.9723 -28.9520 -28.9344
   -28.9162 -28.9076 -26.4406 -26.3683 -26.3625 -26.3249 -26.2677 -26.2424
   -26.2360 -26.2334 -26.1995 -26.1906  -7.6269  -7.5927  -7.4762  -7.3975
    -7.3821  -7.2188  -6.9144  -6.8664  -6.7729  -6.6384  -6.6159  -6.6039
    -4.1210  -3.7680  -3.5398  -3.3972  -3.3034  -3.2347  -2.8847  -2.8104
    -2.5599  -2.4468  -2.3601  -2.2986   7.6766   7.8386   7.8922   8.0684
     8.2990   8.4605   8.5935   8.6438   8.8523   8.8997   9.1124   9.1773
     9.2511   9.3740   9.4205   9.5341   9.6087   9.8321   9.9788  10.0718
    10.2679  10.3790  10.4801  10.6737  10.9440  11.1418  11.4115  11.4948
    11.6005  11.6826  11.7293  11.8621  11.9408  12.0823  12.1183  12.2852
    13.6027  14.1559  14.3125  14.7409  14.9090  14.9368  16.4980  16.8289
    16.9622  17.0988  17.4732  17.5729  17.7401  17.8741  18.3367  18.7737
    18.9598  19.1461  19.2006  19.3521  19.7607  19.8749  19.9992

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.0000 (  5557 PWs)   bands (ev):

   -57.1949 -57.1942 -54.3995 -54.3986 -28.9792 -28.9738 -28.9490 -28.9370
   -28.9150 -28.9087 -26.4285 -26.3924 -26.3664 -26.3148 -26.2706 -26.2432
   -26.2334 -26.2230 -26.2021 -26.1902  -7.7832  -7.6372  -7.5365  -7.3971
    -7.1644  -7.1501  -7.0917  -7.0626  -6.6527  -6.5936  -6.5480  -6.5012
    -4.2930  -3.5520  -3.4896  -3.3372  -3.3131  -3.0275  -2.8960  -2.7669
    -2.6944  -2.5813  -2.4101  -2.2478   7.6541   7.7234   7.8157   7.9512
     8.1246   8.2172   8.5956   8.6383   8.7855   8.8236   9.0006   9.2158
     9.3529   9.4095   9.5386   9.5945   9.7552   9.7894  10.1626  10.2105
    10.3919  10.5120  10.7304  10.8313  10.8662  11.0375  11.1487  11.4031
    11.4563  11.4822  11.7365  11.7728  11.8577  12.0352  12.2931  12.3411
    13.8642  14.0482  14.4481  14.5662  14.6729  15.0137  16.7449  16.7703
    16.8875  17.2003  17.2974  17.6042  17.7402  18.0734  18.0901  18.5613
    18.7941  19.2195  19.4803  19.5495  19.8645  19.8804  20.0211

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.1383 (  5568 PWs)   bands (ev):

   -57.1949 -57.1942 -54.3995 -54.3986 -28.9792 -28.9737 -28.9490 -28.9370
   -28.9150 -28.9087 -26.4335 -26.3930 -26.3597 -26.3124 -26.2714 -26.2435
   -26.2333 -26.2246 -26.2013 -26.1921  -7.7639  -7.5963  -7.5446  -7.3790
    -7.1780  -7.1361  -7.0953  -7.0448  -6.7459  -6.5889  -6.5551  -6.5503
    -4.1817  -3.5539  -3.4539  -3.3612  -3.2602  -2.9827  -2.9656  -2.8212
    -2.6543  -2.6398  -2.4183  -2.2770   7.6957   7.7851   7.8445   8.0662
     8.1682   8.3145   8.5823   8.6312   8.7775   8.8554   9.0951   9.1406
     9.3227   9.3979   9.4829   9.5308   9.6699   9.7938   9.9060  10.3262
    10.3317  10.5107  10.5968  10.6987  10.9851  11.0437  11.1425  11.4446
    11.4727  11.5751  11.7575  11.8039  11.8187  12.0333  12.1683  12.3035
    13.9735  14.0579  14.4469  14.6116  14.6718  14.9934  16.8106  16.8604
    16.9133  17.2437  17.3063  17.5858  17.7715  18.0076  18.0823  18.5776
    18.7980  19.1843  19.3697  19.4458  19.8817  19.9141  20.0640

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.2766 (  5565 PWs)   bands (ev):

   -57.1949 -57.1942 -54.3994 -54.3986 -28.9792 -28.9737 -28.9490 -28.9370
   -28.9149 -28.9087 -26.4344 -26.3908 -26.3586 -26.3160 -26.2709 -26.2441
   -26.2327 -26.2235 -26.2014 -26.1926  -7.7078  -7.6305  -7.4446  -7.3356
    -7.2098  -7.1859  -7.0760  -6.9930  -6.8519  -6.6928  -6.5778  -6.5650
    -3.9265  -3.6786  -3.3462  -3.2940  -3.2018  -3.1293  -2.9381  -2.9259
    -2.6876  -2.5942  -2.4300  -2.3583   7.7720   7.9284   7.9717   8.0779
     8.2859   8.4521   8.5601   8.7153   8.8210   8.9260   9.0807   9.1492
     9.2170   9.3297   9.3927   9.4580   9.5106   9.7341   9.9748  10.0862
    10.1660  10.3219  10.5595  10.7902  10.8579  11.0599  11.3011  11.4648
    11.4950  11.5871  11.7477  11.7723  11.8726  12.0186  12.1272  12.2229
    14.0635  14.1511  14.4544  14.6636  14.6988  14.9780  16.8209  16.9192
    16.9315  17.2842  17.4081  17.5799  17.8409  17.8883  18.0581  18.6915
    18.7693  19.1858  19.2179  19.5024  19.7490  19.9756  20.0350

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333-0.2766 (  5565 PWs)   bands (ev):

   -57.1949 -57.1942 -54.3994 -54.3986 -28.9792 -28.9737 -28.9490 -28.9370
   -28.9149 -28.9087 -26.4302 -26.3884 -26.3643 -26.3208 -26.2701 -26.2443
   -26.2324 -26.2212 -26.2023 -26.1910  -7.7071  -7.6326  -7.4309  -7.3500
    -7.2097  -7.1869  -7.0782  -6.9850  -6.8516  -6.6967  -6.5796  -6.5629
    -3.9315  -3.6633  -3.3462  -3.3048  -3.2050  -3.1174  -2.9678  -2.9206
    -2.6554  -2.6027  -2.4494  -2.3457   7.8047   7.8956   7.9305   8.1401
     8.2864   8.3819   8.6243   8.7388   8.8429   8.9012   9.0039   9.1462
     9.2594   9.2925   9.3823   9.4856   9.5444   9.6713  10.0096  10.0997
    10.1437  10.4107  10.5550  10.7965  10.8494  11.0062  11.2691  11.4065
    11.5419  11.6254  11.7122  11.8024  11.9244  11.9967  12.1235  12.1923
    14.0645  14.1518  14.4539  14.6604  14.7167  14.9890  16.8267  16.8942
    16.9285  17.2578  17.4699  17.6137  17.6663  17.9076  18.0470  18.7470
    18.7572  19.2812  19.3389  19.4897  19.6912  19.8928  20.0537

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333-0.1383 (  5568 PWs)   bands (ev):

   -57.1949 -57.1942 -54.3994 -54.3986 -28.9792 -28.9737 -28.9490 -28.9370
   -28.9150 -28.9087 -26.4261 -26.3897 -26.3693 -26.3200 -26.2699 -26.2438
   -26.2328 -26.2208 -26.2028 -26.1896  -7.7637  -7.5991  -7.5367  -7.3839
    -7.1863  -7.1306  -7.0952  -7.0402  -6.7464  -6.5899  -6.5568  -6.5499
    -4.1828  -3.5368  -3.4488  -3.3672  -3.2730  -3.0107  -2.9604  -2.7889
    -2.7112  -2.5817  -2.4379  -2.2693   7.7352   7.7546   7.8291   8.0705
     8.1905   8.2627   8.6187   8.7061   8.7761   8.8850   8.9431   9.0918
     9.3483   9.3799   9.5075   9.5605   9.6545   9.8351   9.9077  10.2675
    10.4189  10.5468  10.6387  10.7408  10.9686  10.9764  11.0685  11.3636
    11.4913  11.5981  11.7699  11.8022  11.9061  11.9810  12.1834  12.2799
    13.9849  14.0530  14.4441  14.6038  14.6989  15.0112  16.8162  16.8344
    16.8860  17.2373  17.3184  17.5968  17.6736  18.0057  18.0639  18.6462
    18.7636  19.2929  19.4702  19.6174  19.6993  19.8583  20.0750

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666-0.0000 (  5576 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9770 -28.9770 -28.9428 -28.9428
   -28.9118 -28.9118 -26.4186 -26.4186 -26.3363 -26.3363 -26.2548 -26.2548
   -26.2246 -26.2246 -26.1976 -26.1976  -7.7169  -7.7169  -7.3904  -7.3903
    -7.3762  -7.3761  -6.8438  -6.8438  -6.7361  -6.7361  -6.5907  -6.5907
    -3.6122  -3.6122  -3.4880  -3.4879  -3.2228  -3.2228  -2.8152  -2.8152
    -2.5764  -2.5763  -2.4669  -2.4669   7.7869   7.7869   7.8974   7.8974
     8.1002   8.1002   8.6535   8.6536   8.8116   8.8116   9.2349   9.2349
     9.3035   9.3036   9.5137   9.5137   9.7684   9.7684  10.1461  10.1461
    10.2480  10.2480  10.5684  10.5685  10.9311  10.9311  11.4097  11.4098
    11.4750  11.4751  11.8054  11.8055  11.9104  11.9104  12.1433  12.1433
    14.1475  14.1475  14.5039  14.5039  14.8374  14.8374  16.7951  16.7951
    17.2421  17.2421  17.5923  17.5924  17.6923  17.6924  18.1780  18.1780
    18.9555  18.9556  19.6013  19.6016  20.1051  20.1077  20.1992

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666 0.1383 (  5582 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9770 -28.9770 -28.9428 -28.9428
   -28.9118 -28.9117 -26.4187 -26.4160 -26.3406 -26.3360 -26.2554 -26.2542
   -26.2248 -26.2234 -26.1983 -26.1963  -7.6988  -7.6953  -7.4506  -7.4396
    -7.2950  -7.2861  -6.8448  -6.8416  -6.7550  -6.7539  -6.6534  -6.6486
    -3.5727  -3.5532  -3.4431  -3.4001  -3.2094  -3.1825  -2.8888  -2.8581
    -2.6497  -2.5841  -2.5126  -2.4765   7.7448   7.8505   7.9446   8.1189
     8.1337   8.1705   8.5610   8.7227   8.8545   8.8808   9.1636   9.1947
     9.2917   9.3597   9.4217   9.5486   9.6350   9.7301   9.9215   9.9909
    10.1546  10.2231  10.7839  10.8330  10.8374  10.9266  11.2747  11.3454
    11.4405  11.5041  11.7681  11.8393  11.8974  11.9415  12.0916  12.1609
    14.1661  14.2469  14.5057  14.5216  14.8025  14.8666  16.8911  16.9189
    17.2216  17.2511  17.5323  17.6104  17.6413  17.7139  18.1269  18.2535
    18.8802  19.0205  19.5107  19.6579  19.9266  20.0570  20.1293

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666 0.2766 (  5574 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3991 -54.3990 -28.9770 -28.9769 -28.9428 -28.9428
   -28.9118 -28.9117 -26.4163 -26.4145 -26.3431 -26.3402 -26.2551 -26.2544
   -26.2239 -26.2230 -26.1974 -26.1962  -7.6362  -7.6305  -7.5408  -7.5331
    -7.1190  -7.1138  -6.9208  -6.9148  -6.7791  -6.7766  -6.7447  -6.7402
    -3.4455  -3.4111  -3.3649  -3.2869  -3.1792  -3.1254  -3.0261  -2.9979
    -2.6835  -2.6130  -2.5986  -2.5487   7.8273   7.9188   7.9788   8.1311
     8.3850   8.4070   8.7057   8.8148   8.8563   8.9196   8.9982   9.1115
     9.1867   9.2687   9.3404   9.4588   9.5889   9.6632   9.8210   9.9103
    10.2033  10.2471  10.4739  10.5349  11.0291  11.0720  11.1957  11.2692
    11.5093  11.5440  11.7400  11.7682  11.9811  12.0091  12.0527  12.1192
    14.2722  14.3205  14.5281  14.5460  14.8092  14.8442  16.9809  16.9971
    17.2862  17.3330  17.4800  17.5634  17.6042  17.6505  18.2199  18.3364
    18.8843  18.9733  19.4262  19.5931  19.8382  20.0020  20.1164

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1947 -57.1943 -54.3993 -54.3988 -28.9767 -28.9739 -28.9474 -28.9407
   -28.9139 -28.9106 -26.4058 -26.3867 -26.3702 -26.3636 -26.2472 -26.2415
   -26.2363 -26.2269 -26.1933 -26.1922  -7.6546  -7.5516  -7.5008  -7.3109
    -7.3018  -7.1547  -7.1340  -7.1100  -6.8830  -6.8332  -6.5605  -6.4995
    -3.8695  -3.4469  -3.4333  -3.3942  -3.1088  -3.0119  -2.8337  -2.7933
    -2.6787  -2.6483  -2.4627  -2.3848   7.5179   7.6427   7.9118   7.9533
     8.3430   8.3812   8.4443   8.6936   8.6972   8.9596   9.0138   9.2961
     9.3087   9.4112   9.4820   9.5635   9.7511   9.8138   9.8825  10.1966
    10.3260  10.4009  10.5516  10.8333  10.9459  10.9865  11.2898  11.3286
    11.3684  11.4343  11.5409  11.6130  11.9168  11.9667  12.1621  12.2252
    14.1012  14.3003  14.4878  14.6310  14.6334  14.7495  16.8272  16.9355
    17.0366  17.3142  17.4596  17.5196  17.7491  17.9884  18.0907  18.3489
    19.0627  19.2896  19.3849  19.7874  19.9324  20.1124  20.1985

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1383 (  5555 PWs)   bands (ev):

   -57.1947 -57.1943 -54.3993 -54.3988 -28.9767 -28.9739 -28.9474 -28.9407
   -28.9139 -28.9106 -26.4089 -26.3854 -26.3699 -26.3603 -26.2478 -26.2419
   -26.2378 -26.2277 -26.1929 -26.1912  -7.6293  -7.5072  -7.4908  -7.3309
    -7.2984  -7.1558  -7.1234  -7.1099  -6.8744  -6.8608  -6.6132  -6.5494
    -3.7847  -3.4278  -3.3741  -3.3435  -3.1449  -3.0036  -2.8554  -2.8071
    -2.7644  -2.7090  -2.4427  -2.3757   7.5384   7.6520   7.9466   8.1304
     8.3321   8.4213   8.5158   8.6783   8.7141   8.9676   9.0404   9.1437
     9.3581   9.4533   9.5161   9.5707   9.6941   9.7916   9.9040  10.0129
    10.1003  10.3877  10.5618  10.7477  10.8255  10.9810  11.2647  11.3176
    11.3903  11.4840  11.7000  11.7493  11.8349  11.9697  12.1252  12.2483
    14.0948  14.3218  14.4960  14.6201  14.6787  14.7515  16.7902  17.0576
    17.1950  17.3260  17.4269  17.5148  17.7208  17.9542  18.0918  18.3395
    19.0913  19.2896  19.3535  19.7466  19.7970  19.9279  19.9726

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2766 (  5575 PWs)   bands (ev):

   -57.1947 -57.1943 -54.3993 -54.3988 -28.9766 -28.9738 -28.9474 -28.9407
   -28.9138 -28.9106 -26.4126 -26.3854 -26.3672 -26.3563 -26.2491 -26.2427
   -26.2396 -26.2293 -26.1914 -26.1905  -7.5630  -7.4975  -7.4101  -7.3482
    -7.2952  -7.2292  -7.1184  -7.0700  -6.8688  -6.8441  -6.7051  -6.6705
    -3.5797  -3.3841  -3.2783  -3.2631  -3.2071  -3.0802  -2.9239  -2.8991
    -2.7998  -2.7511  -2.4234  -2.3910   7.6493   7.7871   7.8347   8.0367
     8.5031   8.5899   8.6852   8.7650   8.8648   9.0056   9.0274   9.1859
     9.3159   9.4319   9.4896   9.5389   9.5675   9.6475   9.7745   9.9045
    10.0389  10.2052  10.3013  10.4459  10.8195  10.9301  11.3323  11.3920
    11.5281  11.5384  11.8501  11.8622  11.9045  11.9684  12.0675  12.1585
    14.0849  14.3542  14.5145  14.6027  14.7523  14.7663  16.7366  17.0783
    17.3268  17.3699  17.5007  17.5829  17.7022  17.9164  18.1796  18.3236
    19.1232  19.2687  19.3076  19.5559  19.6547  19.7454  19.8249

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.0000 (  5552 PWs)   bands (ev):

   -57.1947 -57.1944 -54.3992 -54.3988 -28.9783 -28.9760 -28.9455 -28.9413
   -28.9124 -28.9099 -26.4217 -26.4105 -26.3530 -26.3295 -26.2603 -26.2446
   -26.2357 -26.2296 -26.1908 -26.1868  -7.8625  -7.7349  -7.5038  -7.4738
    -7.3601  -7.2923  -6.9123  -6.8140  -6.6470  -6.6013  -6.5823  -6.5429
    -3.8372  -3.5638  -3.5279  -3.3947  -3.3450  -3.2092  -2.7648  -2.6225
    -2.5645  -2.5183  -2.4616  -2.3363   7.5655   7.6534   7.7135   7.7870
     7.9934   8.2204   8.7265   8.7411   8.8543   8.9089   9.0889   9.2119
     9.2345   9.3795   9.5142   9.6519   9.7260   9.8861  10.1584  10.2697
    10.3228  10.4573  10.5548  10.7600  10.8497  10.9828  11.0645  11.2574
    11.3074  11.4493  11.6419  11.6817  11.9527  12.0268  12.0625  12.2014
    13.9661  14.2335  14.4202  14.5745  14.7409  14.9230  16.7691  16.7800
    17.0228  17.2475  17.4857  17.6645  17.7222  17.8375  18.1560  18.3625
    19.0247  19.1856  19.4175  19.6516  19.9911  20.1153  20.1503

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.1383 (  5554 PWs)   bands (ev):

   -57.1947 -57.1944 -54.3992 -54.3988 -28.9783 -28.9760 -28.9455 -28.9413
   -28.9124 -28.9099 -26.4244 -26.4116 -26.3491 -26.3267 -26.2613 -26.2453
   -26.2359 -26.2306 -26.1902 -26.1874  -7.8380  -7.7199  -7.5373  -7.4485
    -7.3591  -7.2461  -6.9037  -6.8270  -6.6935  -6.6300  -6.5989  -6.5755
    -3.7861  -3.5308  -3.4844  -3.3661  -3.2707  -3.1804  -2.8291  -2.7154
    -2.6496  -2.5840  -2.3903  -2.3288   7.5462   7.5943   7.9349   8.0165
     8.0492   8.1935   8.6443   8.7852   8.8671   8.9004   9.0766   9.1591
     9.2971   9.3698   9.5185   9.6386   9.6652   9.8039   9.9551  10.0376
    10.2040  10.4681  10.6231  10.8328  10.9191  11.0507  11.1176  11.2022
    11.3223  11.4786  11.5581  11.7996  11.8390  12.0131  12.0415  12.1717
    14.0409  14.2408  14.4774  14.5916  14.7385  14.9082  16.8357  16.8835
    17.0425  17.2958  17.4594  17.6558  17.7228  17.8098  18.1628  18.3875
    19.0049  19.1975  19.4316  19.6511  19.7966  19.9948  20.0126

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.2766 (  5561 PWs)   bands (ev):

   -57.1947 -57.1944 -54.3992 -54.3988 -28.9783 -28.9760 -28.9455 -28.9413
   -28.9124 -28.9099 -26.4233 -26.4098 -26.3504 -26.3289 -26.2624 -26.2466
   -26.2358 -26.2309 -26.1888 -26.1862  -7.7686  -7.6950  -7.5916  -7.5179
    -7.2294  -7.1614  -6.9043  -6.8611  -6.8009  -6.7123  -6.6180  -6.5980
    -3.6531  -3.5437  -3.3258  -3.2900  -3.1715  -3.1043  -2.9972  -2.9364
    -2.6975  -2.6535  -2.3549  -2.3398   7.6494   7.7049   7.8992   7.9938
     8.3740   8.5138   8.6474   8.7658   8.8423   8.9519   9.0388   9.1346
     9.1955   9.3485   9.3938   9.4287   9.6097   9.7306   9.9146   9.9507
    10.1760  10.2410  10.5866  10.7351  10.8264  10.9027  11.3001  11.3692
    11.4435  11.5374  11.5925  11.6852  11.8049  11.9678  12.0635  12.1330
    14.1762  14.2778  14.5594  14.6218  14.7164  14.8912  16.8675  16.9306
    17.1372  17.3962  17.4691  17.6159  17.6282  17.7594  18.2529  18.5452
    18.9363  19.1896  19.4199  19.5287  19.7357  19.8372  19.9812

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333-0.2766 (  5561 PWs)   bands (ev):

   -57.1947 -57.1944 -54.3992 -54.3988 -28.9783 -28.9760 -28.9455 -28.9413
   -28.9124 -28.9099 -26.4198 -26.4073 -26.3553 -26.3332 -26.2620 -26.2466
   -26.2354 -26.2303 -26.1883 -26.1848  -7.7666  -7.6952  -7.5883  -7.5246
    -7.2276  -7.1627  -6.8986  -6.8623  -6.8005  -6.7158  -6.6196  -6.5968
    -3.6542  -3.5189  -3.3648  -3.2643  -3.1974  -3.1159  -2.9695  -2.9344
    -2.7097  -2.6405  -2.3736  -2.3240   7.7078   7.7557   7.8386   7.8856
     8.3948   8.5846   8.6744   8.7330   8.8192   8.9479   9.0678   9.1245
     9.2266   9.2491   9.4450   9.4487   9.5517   9.7409   9.8391  10.1114
    10.1795  10.2476  10.5618  10.6433  10.8432  10.9021  11.2811  11.4114
    11.4734  11.5339  11.6007  11.6834  11.8147  11.9362  12.0631  12.1197
    14.2001  14.2926  14.5431  14.6211  14.7099  14.8982  16.8905  16.9296
    17.1193  17.3944  17.4418  17.5860  17.6374  17.7402  18.2284  18.5912
    18.9357  19.1775  19.4093  19.4981  19.8612  19.9039  19.9765

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333-0.1383 (  5554 PWs)   bands (ev):

   -57.1947 -57.1944 -54.3992 -54.3988 -28.9783 -28.9760 -28.9455 -28.9413
   -28.9124 -28.9099 -26.4186 -26.4078 -26.3570 -26.3335 -26.2608 -26.2455
   -26.2354 -26.2294 -26.1895 -26.1851  -7.8369  -7.7169  -7.5400  -7.4554
    -7.3557  -7.2444  -6.9018  -6.8260  -6.6923  -6.6308  -6.6014  -6.5765
    -3.7828  -3.4943  -3.4913  -3.3986  -3.2745  -3.1933  -2.8092  -2.7094
    -2.6595  -2.5765  -2.4105  -2.3150   7.6075   7.6587   7.8188   7.8549
     8.0802   8.2957   8.7191   8.7931   8.8273   8.9549   9.0442   9.1265
     9.2194   9.4235   9.5153   9.5674   9.7329   9.7999   9.9742  10.0668
    10.2428  10.5167  10.5436  10.7505  10.9301  10.9595  11.1395  11.2448
    11.3735  11.5278  11.5789  11.7682  11.8730  11.9867  12.0308  12.1256
    14.0758  14.2799  14.4465  14.5892  14.7250  14.9202  16.8791  16.9003
    16.9897  17.2453  17.4763  17.6276  17.6887  17.7829  18.1547  18.4414
    19.0027  19.2144  19.3951  19.5652  20.0055  20.0709  20.1068

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666-0.0000 (  5556 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3990 -54.3990 -28.9790 -28.9789 -28.9429 -28.9429
   -28.9102 -28.9101 -26.4284 -26.4284 -26.3202 -26.3202 -26.2668 -26.2668
   -26.2302 -26.2301 -26.1852 -26.1852  -7.9414  -7.9414  -7.5556  -7.5556
    -7.3340  -7.3339  -6.6182  -6.6181  -6.5984  -6.5984  -6.5340  -6.5340
    -3.6511  -3.6511  -3.5931  -3.5930  -3.4220  -3.4220  -2.6651  -2.6651
    -2.4484  -2.4484  -2.3307  -2.3306   7.4933   7.4933   7.6957   7.6957
     8.0589   8.0589   8.6920   8.6920   8.9438   8.9438   9.0869   9.0870
     9.4668   9.4668   9.6301   9.6301   9.7896   9.7896  10.1222  10.1222
    10.4968  10.4969  10.6095  10.6095  10.7766  10.7766  11.0527  11.0527
    11.5490  11.5490  11.8540  11.8540  11.9861  11.9862  12.0520  12.0520
    13.8940  13.8940  14.4661  14.4661  14.9708  14.9708  16.6540  16.6540
    17.0908  17.0909  17.5348  17.5349  17.8391  17.8391  18.3323  18.3323
    19.0091  19.0092  19.5042  19.5043  20.2161  20.2451  20.2600

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666 0.1383 (  5548 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3990 -54.3990 -28.9790 -28.9789 -28.9429 -28.9429
   -28.9101 -28.9101 -26.4279 -26.4270 -26.3230 -26.3213 -26.2671 -26.2664
   -26.2301 -26.2299 -26.1848 -26.1841  -7.9139  -7.9130  -7.6044  -7.6021
    -7.2685  -7.2668  -6.6949  -6.6934  -6.5904  -6.5897  -6.5395  -6.5387
    -3.6625  -3.6403  -3.5339  -3.4712  -3.3995  -3.3584  -2.7736  -2.7604
    -2.4616  -2.4236  -2.3670  -2.3423   7.5623   7.6087   7.7430   7.8160
     8.0691   8.0988   8.6635   8.7183   8.9310   9.0220   9.0625   9.0853
     9.4075   9.4451   9.4749   9.5527   9.7336   9.7867   9.8928   9.9723
    10.4427  10.5012  10.7030  10.7306  10.8732  10.8962  11.0258  11.0862
    11.5724  11.5993  11.7318  11.7704  11.8897  11.9235  11.9973  12.0662
    13.9852  14.0273  14.4763  14.4831  14.9589  14.9859  16.7568  16.7669
    17.0717  17.0823  17.4974  17.5223  17.8059  17.8289  18.3487  18.3982
    18.9677  19.0229  19.4956  19.5896  20.1092  20.1299  20.2948

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666 0.2766 (  5528 PWs)   bands (ev):

   -57.1946 -57.1945 -54.3990 -54.3990 -28.9789 -28.9789 -28.9429 -28.9428
   -28.9101 -28.9101 -26.4262 -26.4256 -26.3257 -26.3247 -26.2668 -26.2664
   -26.2299 -26.2298 -26.1836 -26.1831  -7.8328  -7.8312  -7.7153  -7.7131
    -7.0963  -7.0949  -6.8783  -6.8771  -6.5754  -6.5745  -6.5557  -6.5548
    -3.5812  -3.5622  -3.4911  -3.4582  -3.2101  -3.1940  -2.9827  -2.9759
    -2.4639  -2.4303  -2.4149  -2.3875   7.6991   7.7420   7.9319   8.0941
     8.0980   8.2019   8.6569   8.6849   8.7740   8.8866   8.9990   9.0338
     9.2508   9.3156   9.3902   9.5075   9.7529   9.7812   9.9687  10.0734
    10.2639  10.4464  10.5430  10.6732  10.8976  10.9155  11.0896  11.1332
    11.4687  11.5717  11.6601  11.7306  11.8959  11.9195  12.0211  12.0499
    14.1468  14.1708  14.5052  14.5125  14.9598  14.9748  16.8511  16.8626
    17.1164  17.1298  17.4394  17.4583  17.7678  17.7793  18.5028  18.5494
    18.9133  18.9533  19.5710  19.6802  19.9517  19.9688  20.1758

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

 ------ SPIN DOWN ----------


          k = 0.0000 0.0000 0.0000 (  5569 PWs)   bands (ev):

   -57.1948 -57.1936 -54.4000 -54.3985 -28.9806 -28.9716 -28.9534 -28.9315
   -28.9168 -28.9062 -26.4407 -26.3743 -26.3579 -26.3074 -26.2717 -26.2590
   -26.2391 -26.2359 -26.2000 -26.1818  -7.8168  -7.6246  -7.5735  -7.5624
    -7.3580  -6.9921  -6.7125  -6.6960  -6.6199  -6.5580  -6.5568  -6.4568
    -4.9567  -3.9083  -3.5476  -3.3846  -3.3126  -3.0633  -2.9566  -2.7988
    -2.6711  -2.6338  -2.1215  -2.0288   7.3219   7.4895   7.7170   7.7499
     8.4418   8.4438   8.6149   8.6201   8.7511   8.9876   9.1246   9.2026
     9.3925   9.4596   9.7258   9.8610   9.9487   9.9548   9.9702  10.1012
    10.2839  10.5910  10.7583  10.7678  10.9616  11.1784  11.1958  11.3773
    11.3989  11.5414  11.7749  12.0297  12.3227  12.4846  12.5158  12.6122
    13.2458  13.7332  14.0176  14.5712  14.8451  15.1225  16.4153  16.5481
    16.7316  16.9365  17.1457  17.3996  18.0282  18.2109  18.2637  18.8303
    19.1417  19.2687  19.4365  19.4848  19.8359  19.9832  20.5784

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1383 (  5575 PWs)   bands (ev):

   -57.1948 -57.1936 -54.4000 -54.3985 -28.9805 -28.9716 -28.9534 -28.9315
   -28.9168 -28.9061 -26.4457 -26.3671 -26.3601 -26.3028 -26.2726 -26.2593
   -26.2394 -26.2366 -26.2008 -26.1836  -7.7427  -7.6261  -7.5730  -7.5522
    -7.3807  -6.9324  -6.8727  -6.6920  -6.6320  -6.5582  -6.5559  -6.4997
    -4.7803  -3.8500  -3.6750  -3.4175  -3.3355  -3.1115  -2.9487  -2.7276
    -2.6608  -2.5628  -2.1571  -2.0887   7.4214   7.5722   7.7838   7.8476
     8.4465   8.4480   8.6351   8.6649   8.7458   8.8993   9.0889   9.1883
     9.3529   9.4308   9.6182   9.7407   9.8590   9.9279  10.0105  10.2033
    10.3056  10.3687  10.5902  10.9319  11.1063  11.1151  11.2369  11.3866
    11.3923  11.7411  11.7997  12.0480  12.3012  12.3142  12.3880  12.4519
    13.2597  13.8710  14.0992  14.5799  14.9065  15.0916  16.4130  16.6263
    16.7508  17.0584  17.1001  17.4122  17.9636  18.1279  18.2852  18.8113
    19.1515  19.2180  19.2592  19.4383  19.4616  19.6629  19.9907

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2766 (  5542 PWs)   bands (ev):

   -57.1948 -57.1937 -54.4000 -54.3985 -28.9805 -28.9715 -28.9534 -28.9315
   -28.9167 -28.9061 -26.4523 -26.3632 -26.3565 -26.2949 -26.2748 -26.2597
   -26.2400 -26.2379 -26.2022 -26.1867  -7.6195  -7.5977  -7.5479  -7.4797
    -7.4395  -7.1998  -6.7867  -6.6791  -6.6579  -6.6201  -6.5581  -6.5549
    -4.3996  -3.9940  -3.7035  -3.5349  -3.3197  -3.2239  -2.8799  -2.7766
    -2.4753  -2.4095  -2.2591  -2.2512   7.5880   7.7540   7.9146   8.0895
     8.3997   8.4655   8.5897   8.6176   8.8232   8.8911   9.0424   9.0797
     9.2540   9.3863   9.5092   9.5378   9.6315   9.7943  10.0401  10.2056
    10.3091  10.4175  10.7346  10.8357  11.0224  11.1921  11.3429  11.5723
    11.6059  11.6900  11.7776  11.8884  12.0635  12.1927  12.3156  12.3625
    13.2827  14.0636  14.2257  14.6008  14.9895  15.0400  16.3972  16.6842
    16.8021  16.9653  17.3779  17.4327  17.8725  17.9520  18.4048  18.7755
    18.9019  19.1582  19.3751  19.4833  19.5079  19.7055  19.8943

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.0000 (  5566 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3987 -28.9790 -28.9726 -28.9502 -28.9347
   -28.9158 -28.9083 -26.4326 -26.3817 -26.3678 -26.3134 -26.2588 -26.2546
   -26.2348 -26.2328 -26.2016 -26.1891  -7.7006  -7.6023  -7.5024  -7.4350
    -7.2677  -7.1190  -6.8799  -6.8591  -6.7441  -6.7371  -6.6726  -6.4865
    -4.4415  -3.6531  -3.4317  -3.3093  -3.1666  -3.1267  -2.9131  -2.8606
    -2.8074  -2.6244  -2.3234  -2.2154   7.5424   7.7814   7.8269   7.9966
     8.4176   8.4930   8.6250   8.6630   8.6747   8.7992   8.9674   8.9938
     9.1047   9.2991   9.4428   9.6228   9.7037   9.8626  10.1667  10.4061
    10.5606  10.6053  10.8144  10.9263  10.9565  11.2006  11.2462  11.2683
    11.3215  11.3935  11.7370  11.7681  12.0571  12.1726  12.3380  12.3490
    13.8306  14.0247  14.1714  14.7424  14.7921  14.9441  16.7478  16.7868
    16.8930  16.9953  17.2052  17.5859  17.7901  18.1017  18.2211  18.6716
    18.7029  19.4243  19.4346  19.5471  19.6365  19.7038  19.9056

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.1383 (  5559 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3987 -28.9790 -28.9726 -28.9502 -28.9347
   -28.9157 -28.9083 -26.4312 -26.3786 -26.3699 -26.3191 -26.2573 -26.2543
   -26.2335 -26.2314 -26.2019 -26.1899  -7.6360  -7.5960  -7.4781  -7.4613
    -7.2895  -7.0448  -6.9439  -6.8524  -6.7715  -6.7542  -6.7024  -6.5410
    -4.3133  -3.6033  -3.4070  -3.4057  -3.2124  -3.0773  -2.9619  -2.8535
    -2.7576  -2.6103  -2.3557  -2.2712   7.5883   7.8822   7.8939   8.0479
     8.4677   8.5757   8.5932   8.6245   8.8041   8.8235   8.8830   8.9382
     9.1797   9.3001   9.3953   9.4935   9.5740   9.9915  10.0194  10.3560
    10.4193  10.4547  10.8168  10.9002  11.0512  11.0945  11.2443  11.4093
    11.4609  11.4967  11.6294  11.7093  12.0882  12.1230  12.2904  12.3250
    13.8307  14.1245  14.1693  14.7651  14.8284  14.9265  16.7959  16.8015
    16.9137  17.0796  17.1717  17.5912  17.7640  18.0183  18.2502  18.6731
    18.6851  19.3497  19.4957  19.5346  19.6297  19.8374  19.8701

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333 0.2766 (  5566 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3987 -28.9789 -28.9725 -28.9502 -28.9347
   -28.9157 -28.9083 -26.4367 -26.3779 -26.3621 -26.3207 -26.2554 -26.2545
   -26.2333 -26.2311 -26.2031 -26.1924  -7.5684  -7.5149  -7.4745  -7.4108
    -7.3359  -7.1658  -6.8768  -6.8311  -6.7901  -6.7739  -6.7401  -6.6858
    -4.0163  -3.6735  -3.4879  -3.3283  -3.2997  -3.1109  -2.9552  -2.8561
    -2.6156  -2.5505  -2.4567  -2.4154   7.7195   7.9774   8.0735   8.1894
     8.3920   8.5446   8.6548   8.6769   8.7805   8.8345   8.9722   9.1042
     9.1197   9.2859   9.3447   9.3771   9.5350   9.8158   9.9187  10.1514
    10.1870  10.2110  10.7879  11.0458  11.0469  11.1693  11.2814  11.4034
    11.5441  11.6082  11.6437  11.7894  11.9970  12.0839  12.1398  12.2776
    13.8509  14.2340  14.2524  14.7717  14.8778  14.8895  16.7858  16.8350
    16.9974  17.0397  17.4493  17.5744  17.7535  17.8493  18.3016  18.6575
    18.6580  19.0845  19.4959  19.5785  19.6255  19.8545  19.8741

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333-0.2766 (  5566 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3987 -28.9789 -28.9725 -28.9502 -28.9347
   -28.9157 -28.9083 -26.4407 -26.3808 -26.3559 -26.3161 -26.2553 -26.2549
   -26.2348 -26.2324 -26.2036 -26.1930  -7.5651  -7.5185  -7.4788  -7.4013
    -7.3465  -7.1586  -6.8786  -6.8303  -6.7941  -6.7693  -6.7462  -6.6804
    -4.0109  -3.6878  -3.4689  -3.3877  -3.2561  -3.1134  -2.9524  -2.8184
    -2.6073  -2.6050  -2.4662  -2.3926   7.7139   8.0670   8.0817   8.2087
     8.3104   8.3921   8.6518   8.7223   8.7603   8.8586   8.9930   9.1204
     9.1880   9.2547   9.3847   9.4588   9.5113   9.8129   9.9495   9.9556
    10.0592  10.3479  10.8547  11.0490  11.0786  11.2251  11.2635  11.3672
    11.5727  11.6036  11.6134  11.7659  11.9476  12.1157  12.1338  12.2860
    13.8625  14.2359  14.2557  14.7503  14.8640  14.8964  16.7836  16.8506
    17.0248  17.0473  17.5148  17.5736  17.7529  17.8351  18.2747  18.6583
    18.6666  18.9612  19.4716  19.5182  19.6447  19.7380  19.8946

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2333-0.1383 (  5559 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3987 -28.9790 -28.9726 -28.9502 -28.9347
   -28.9157 -28.9083 -26.4385 -26.3829 -26.3590 -26.3116 -26.2576 -26.2549
   -26.2357 -26.2335 -26.2026 -26.1909  -7.6374  -7.5940  -7.4776  -7.4639
    -7.2908  -7.0464  -6.9377  -6.8517  -6.7686  -6.7558  -6.7087  -6.5375
    -4.3119  -3.5969  -3.4332  -3.4194  -3.2076  -3.0511  -2.9559  -2.8086
    -2.7555  -2.6666  -2.3622  -2.2616   7.5960   7.8855   7.9216   8.1008
     8.4127   8.4349   8.4919   8.6860   8.7396   8.8332   8.9507   9.1015
     9.2349   9.3523   9.3550   9.5461   9.5516   9.8071  10.0436  10.2562
    10.3715  10.5098  10.9129  10.9268  11.1119  11.1917  11.1920  11.3469
    11.4495  11.5196  11.6320  11.6978  12.0724  12.1093  12.2515  12.3357
    13.8494  14.0924  14.2068  14.7341  14.8456  14.9047  16.7963  16.8621
    16.9134  17.1207  17.1984  17.6052  17.7423  18.0372  18.2035  18.6677
    18.6964  19.1358  19.4270  19.5029  19.5667  19.8717  19.8782

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666-0.0000 (  5576 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9755 -28.9755 -28.9425 -28.9424
   -28.9126 -28.9126 -26.4126 -26.4126 -26.3427 -26.3427 -26.2489 -26.2489
   -26.2268 -26.2267 -26.2022 -26.2022  -7.4629  -7.4628  -7.4132  -7.4132
    -7.1582  -7.1582  -7.0989  -7.0989  -6.9898  -6.9897  -6.5759  -6.5759
    -3.5478  -3.5478  -3.3664  -3.3664  -3.2107  -3.2107  -2.8079  -2.8079
    -2.6873  -2.6873  -2.6033  -2.6033   7.9484   7.9485   8.0096   8.0096
     8.3644   8.3644   8.5956   8.5957   8.7472   8.7473   8.9468   8.9469
     9.3039   9.3040   9.4353   9.4353   9.7383   9.7383   9.9287   9.9287
    10.5757  10.5758  10.6598  10.6599  10.9015  10.9016  11.3869  11.3869
    11.6144  11.6144  11.7309  11.7310  11.7596  11.7596  12.3060  12.3061
    14.4161  14.4161  14.5389  14.5389  14.6023  14.6024  16.9766  16.9766
    17.3463  17.3464  17.5152  17.5152  17.6010  17.6010  18.0887  18.0888
    19.0849  19.0850  19.6424  19.6425  19.8845  19.8846  20.1383

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666 0.1383 (  5580 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9755 -28.9754 -28.9425 -28.9424
   -28.9126 -28.9126 -26.4133 -26.4094 -26.3478 -26.3416 -26.2493 -26.2485
   -26.2263 -26.2248 -26.2028 -26.2027  -7.4720  -7.4590  -7.3653  -7.3459
    -7.1628  -7.1561  -7.0973  -7.0972  -7.0027  -6.9990  -6.6494  -6.6460
    -3.4975  -3.4847  -3.3103  -3.3036  -3.1579  -3.1440  -2.8848  -2.8781
    -2.7580  -2.7081  -2.6607  -2.6249   7.8684   7.9027   8.1359   8.1997
     8.4197   8.4584   8.5639   8.6075   8.7321   8.7895   9.0357   9.0828
     9.1932   9.3007   9.4280   9.4908   9.5390   9.8272   9.8336   9.9097
    10.2903  10.3803  10.5047  10.5110  11.0506  11.0516  11.3988  11.4625
    11.5711  11.6371  11.6596  11.6863  11.8732  11.8977  12.2411  12.2886
    14.4383  14.4420  14.4693  14.5730  14.6154  14.6320  17.0999  17.1510
    17.2947  17.3033  17.4940  17.5000  17.5830  17.6755  18.0404  18.0422
    18.9802  19.1350  19.5245  19.5922  19.7482  19.9459  20.1771

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000-0.4666 0.2766 (  5576 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9755 -28.9754 -28.9425 -28.9424
   -28.9126 -28.9125 -26.4107 -26.4081 -26.3499 -26.3459 -26.2491 -26.2486
   -26.2240 -26.2230 -26.2037 -26.2037  -7.4267  -7.4116  -7.3577  -7.3380
    -7.1136  -7.1055  -7.0875  -7.0870  -6.9884  -6.9795  -6.8250  -6.8191
    -3.3522  -3.3338  -3.2189  -3.2054  -3.0454  -3.0227  -3.0117  -2.9927
    -2.8829  -2.7887  -2.7814  -2.7236   7.9393   7.9451   8.0694   8.1586
     8.5260   8.6548   8.7180   8.7989   8.8539   9.0574   9.0596   9.1085
     9.1468   9.2171   9.4134   9.4691   9.5473   9.7375   9.7709   9.7901
    10.0115  10.0321  10.1139  10.2079  11.2779  11.3080  11.4010  11.4745
    11.5670  11.5936  11.6273  11.6372  12.0477  12.0714  12.1425  12.2059
    14.4362  14.4550  14.5252  14.5728  14.6398  14.6455  17.1950  17.2014
    17.3246  17.3555  17.4776  17.4874  17.6870  17.7333  17.9564  17.9843
    18.9336  19.0416  19.3744  19.4256  19.8215  19.9598  20.1315

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5557 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3986 -28.9793 -28.9721 -28.9518 -28.9341
   -28.9160 -28.9074 -26.4304 -26.3795 -26.3608 -26.3339 -26.2648 -26.2412
   -26.2358 -26.2335 -26.1995 -26.1873  -7.7434  -7.6780  -7.5746  -7.3760
    -7.3084  -7.0969  -6.9934  -6.8039  -6.6495  -6.6433  -6.6081  -6.4669
    -4.5793  -3.7273  -3.3908  -3.3682  -3.2382  -3.2196  -2.8096  -2.7922
    -2.6607  -2.6585  -2.1978  -2.1971   7.4773   7.6514   7.7355   7.7779
     8.2217   8.4205   8.6526   8.6895   8.7691   9.0227   9.0725   9.1083
     9.3830   9.4029   9.5255   9.6851   9.8363   9.8548   9.9680  10.0059
    10.6184  10.6249  10.7724  10.8550  10.8947  11.0816  11.0933  11.4167
    11.5737  11.6100  11.6400  11.7965  11.9393  12.2978  12.3057  12.4031
    13.5707  13.9443  14.1682  14.7234  14.8001  14.9968  16.5241  16.6826
    16.8852  16.9813  17.2513  17.6012  17.8312  18.0999  18.1942  18.7817
    19.0207  19.1694  19.2107  19.5747  19.7965  19.8543  20.0084

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1383 (  5569 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3986 -28.9793 -28.9720 -28.9518 -28.9341
   -28.9159 -28.9074 -26.4348 -26.3738 -26.3628 -26.3302 -26.2659 -26.2418
   -26.2362 -26.2331 -26.1997 -26.1885  -7.6888  -7.6454  -7.5796  -7.3855
    -7.3350  -7.0751  -6.9808  -6.8229  -6.7533  -6.6386  -6.5935  -6.5101
    -4.4399  -3.6765  -3.4799  -3.3832  -3.2576  -3.2242  -2.8591  -2.7417
    -2.6934  -2.5708  -2.2437  -2.2221   7.5571   7.7189   7.7923   7.8417
     8.2879   8.4099   8.6392   8.7214   8.8000   8.9677   9.0701   9.1380
     9.3180   9.3847   9.5035   9.5854   9.7469   9.8539   9.9481  10.1526
    10.3724  10.4770  10.6504  10.8339  10.9366  11.1963  11.2294  11.4511
    11.5271  11.6404  11.6936  11.7830  11.9630  12.1488  12.2443  12.3968
    13.5835  14.0192  14.2225  14.7290  14.8569  14.9643  16.5181  16.7712
    16.9038  17.1434  17.1932  17.6051  17.7730  18.0293  18.2216  18.7837
    19.0015  19.1771  19.2416  19.4177  19.7665  19.8875  20.0284

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2766 (  5562 PWs)   bands (ev):

   -57.1947 -57.1938 -54.3998 -54.3986 -28.9793 -28.9720 -28.9518 -28.9341
   -28.9159 -28.9073 -26.4407 -26.3684 -26.3625 -26.3249 -26.2678 -26.2426
   -26.2362 -26.2335 -26.1997 -26.1907  -7.6269  -7.5927  -7.4762  -7.3975
    -7.3821  -7.2188  -6.9144  -6.8664  -6.7729  -6.6384  -6.6159  -6.6039
    -4.1210  -3.7680  -3.5398  -3.3972  -3.3035  -3.2347  -2.8847  -2.8104
    -2.5599  -2.4469  -2.3602  -2.2986   7.6767   7.8386   7.8923   8.0684
     8.2990   8.4606   8.5935   8.6438   8.8524   8.8997   9.1124   9.1772
     9.2511   9.3739   9.4205   9.5341   9.6087   9.8321   9.9788  10.0718
    10.2678  10.3790  10.4801  10.6737  10.9439  11.1418  11.4115  11.4948
    11.6005  11.6825  11.7293  11.8620  11.9408  12.0823  12.1183  12.2851
    13.6029  14.1561  14.3126  14.7411  14.9092  14.9370  16.4978  16.8291
    16.9621  17.0986  17.4732  17.5727  17.7400  17.8740  18.3367  18.7733
    18.9599  19.1460  19.2006  19.3518  19.7598  19.8754  19.9974

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.0000 (  5557 PWs)   bands (ev):

   -57.1946 -57.1939 -54.3997 -54.3988 -28.9790 -28.9735 -28.9487 -28.9368
   -28.9147 -28.9084 -26.4285 -26.3925 -26.3664 -26.3149 -26.2708 -26.2434
   -26.2335 -26.2232 -26.2023 -26.1904  -7.7832  -7.6372  -7.5365  -7.3970
    -7.1644  -7.1501  -7.0917  -7.0626  -6.6527  -6.5936  -6.5480  -6.5012
    -4.2930  -3.5520  -3.4896  -3.3373  -3.3131  -3.0275  -2.8960  -2.7668
    -2.6945  -2.5813  -2.4102  -2.2479   7.6541   7.7234   7.8157   7.9512
     8.1247   8.2173   8.5956   8.6382   8.7856   8.8236   9.0007   9.2157
     9.3530   9.4093   9.5385   9.5945   9.7552   9.7893  10.1626  10.2105
    10.3918  10.5120  10.7305  10.8313  10.8662  11.0374  11.1486  11.4030
    11.4562  11.4822  11.7365  11.7728  11.8576  12.0351  12.2930  12.3410
    13.8644  14.0484  14.4483  14.5664  14.6731  15.0139  16.7449  16.7703
    16.8875  17.2004  17.2973  17.6041  17.7402  18.0733  18.0902  18.5616
    18.7939  19.2197  19.4795  19.5495  19.8633  19.8808  20.0208

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.1383 (  5568 PWs)   bands (ev):

   -57.1946 -57.1939 -54.3997 -54.3988 -28.9789 -28.9734 -28.9487 -28.9368
   -28.9147 -28.9084 -26.4261 -26.3898 -26.3694 -26.3201 -26.2701 -26.2439
   -26.2330 -26.2209 -26.2030 -26.1897  -7.7637  -7.5991  -7.5367  -7.3839
    -7.1863  -7.1306  -7.0952  -7.0402  -6.7464  -6.5899  -6.5568  -6.5498
    -4.1828  -3.5369  -3.4488  -3.3672  -3.2730  -3.0107  -2.9604  -2.7890
    -2.7112  -2.5818  -2.4380  -2.2694   7.7352   7.7547   7.8291   8.0705
     8.1905   8.2627   8.6187   8.7061   8.7761   8.8850   8.9432   9.0917
     9.3482   9.3798   9.5075   9.5604   9.6545   9.8350   9.9077  10.2676
    10.4188  10.5467  10.6387  10.7408  10.9685  10.9764  11.0684  11.3636
    11.4913  11.5980  11.7698  11.8021  11.9060  11.9810  12.1834  12.2798
    13.9850  14.0532  14.4443  14.6040  14.6991  15.0113  16.8162  16.8344
    16.8860  17.2373  17.3184  17.5967  17.6734  18.0057  18.0639  18.6459
    18.7635  19.2933  19.4705  19.6172  19.7000  19.8581  20.0745

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333 0.2766 (  5565 PWs)   bands (ev):

   -57.1946 -57.1939 -54.3996 -54.3988 -28.9789 -28.9734 -28.9487 -28.9368
   -28.9146 -28.9084 -26.4303 -26.3885 -26.3643 -26.3208 -26.2703 -26.2444
   -26.2326 -26.2214 -26.2025 -26.1911  -7.7071  -7.6326  -7.4309  -7.3499
    -7.2097  -7.1869  -7.0782  -6.9850  -6.8516  -6.6967  -6.5796  -6.5629
    -3.9316  -3.6634  -3.3462  -3.3048  -3.2051  -3.1175  -2.9678  -2.9206
    -2.6553  -2.6028  -2.4495  -2.3458   7.8048   7.8957   7.9305   8.1401
     8.2865   8.3819   8.6243   8.7388   8.8429   8.9013   9.0039   9.1462
     9.2594   9.2925   9.3823   9.4856   9.5443   9.6712  10.0096  10.0997
    10.1437  10.4106  10.5550  10.7964  10.8494  11.0061  11.2691  11.4065
    11.5418  11.6253  11.7122  11.8024  11.9244  11.9967  12.1235  12.1922
    14.0647  14.1519  14.4541  14.6606  14.7169  14.9892  16.8265  16.8942
    16.9285  17.2577  17.4698  17.6136  17.6662  17.9076  18.0472  18.7469
    18.7572  19.2812  19.3389  19.4895  19.6919  19.8912  20.0529

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333-0.2766 (  5565 PWs)   bands (ev):

   -57.1946 -57.1939 -54.3996 -54.3988 -28.9789 -28.9734 -28.9487 -28.9368
   -28.9147 -28.9084 -26.4344 -26.3909 -26.3586 -26.3160 -26.2711 -26.2443
   -26.2329 -26.2236 -26.2015 -26.1928  -7.7078  -7.6305  -7.4446  -7.3356
    -7.2098  -7.1859  -7.0760  -6.9930  -6.8519  -6.6928  -6.5778  -6.5649
    -3.9265  -3.6786  -3.3461  -3.2941  -3.2018  -3.1294  -2.9382  -2.9259
    -2.6875  -2.5943  -2.4301  -2.3583   7.7721   7.9284   7.9717   8.0779
     8.2859   8.4521   8.5600   8.7154   8.8209   8.9261   9.0807   9.1491
     9.2169   9.3297   9.3927   9.4579   9.5105   9.7341   9.9748  10.0862
    10.1660  10.3218  10.5594  10.7902  10.8578  11.0598  11.3011  11.4648
    11.4950  11.5870  11.7477  11.7723  11.8726  12.0185  12.1271  12.2228
    14.0637  14.1512  14.4545  14.6637  14.6990  14.9782  16.8208  16.9195
    16.9314  17.2840  17.4080  17.5798  17.8407  17.8884  18.0583  18.6916
    18.7692  19.1856  19.2178  19.5023  19.7487  19.9756  20.0344

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2333-0.1383 (  5568 PWs)   bands (ev):

   -57.1946 -57.1939 -54.3997 -54.3988 -28.9789 -28.9734 -28.9487 -28.9368
   -28.9147 -28.9084 -26.4335 -26.3931 -26.3598 -26.3124 -26.2716 -26.2436
   -26.2335 -26.2248 -26.2015 -26.1923  -7.7639  -7.5963  -7.5446  -7.3790
    -7.1780  -7.1361  -7.0952  -7.0448  -6.7459  -6.5889  -6.5551  -6.5503
    -4.1818  -3.5539  -3.4539  -3.3612  -3.2603  -2.9827  -2.9656  -2.8212
    -2.6544  -2.6398  -2.4184  -2.2770   7.6958   7.7851   7.8445   8.0663
     8.1682   8.3145   8.5823   8.6313   8.7775   8.8554   9.0951   9.1405
     9.3226   9.3978   9.4829   9.5307   9.6699   9.7938   9.9059  10.3261
    10.3317  10.5107  10.5968  10.6986  10.9851  11.0437  11.1424  11.4445
    11.4727  11.5751  11.7575  11.8039  11.8187  12.0332  12.1683  12.3034
    13.9736  14.0581  14.4470  14.6118  14.6720  14.9936  16.8105  16.8605
    16.9131  17.2437  17.3062  17.5857  17.7714  18.0074  18.0824  18.5777
    18.7979  19.1842  19.3695  19.4458  19.8823  19.9134  20.0662

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666-0.0000 (  5576 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9767 -28.9767 -28.9426 -28.9425
   -28.9115 -28.9115 -26.4187 -26.4187 -26.3364 -26.3363 -26.2550 -26.2549
   -26.2248 -26.2248 -26.1978 -26.1977  -7.7169  -7.7169  -7.3904  -7.3903
    -7.3761  -7.3761  -6.8438  -6.8437  -6.7361  -6.7360  -6.5907  -6.5907
    -3.6123  -3.6122  -3.4880  -3.4879  -3.2229  -3.2229  -2.8152  -2.8152
    -2.5764  -2.5764  -2.4670  -2.4670   7.7869   7.7870   7.8974   7.8974
     8.1003   8.1003   8.6535   8.6535   8.8116   8.8116   9.2350   9.2350
     9.3035   9.3035   9.5137   9.5137   9.7683   9.7683  10.1460  10.1461
    10.2479  10.2479  10.5684  10.5684  10.9310  10.9310  11.4097  11.4097
    11.4750  11.4750  11.8054  11.8054  11.9103  11.9103  12.1433  12.1433
    14.1477  14.1477  14.5041  14.5041  14.8376  14.8376  16.7951  16.7951
    17.2420  17.2420  17.5923  17.5924  17.6923  17.6924  18.1780  18.1780
    18.9553  18.9553  19.6013  19.6014  20.1054  20.1101  20.1986

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666 0.1383 (  5582 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9767 -28.9767 -28.9426 -28.9425
   -28.9115 -28.9115 -26.4188 -26.4161 -26.3406 -26.3361 -26.2555 -26.2544
   -26.2250 -26.2236 -26.1984 -26.1965  -7.6988  -7.6953  -7.4506  -7.4396
    -7.2950  -7.2860  -6.8448  -6.8416  -6.7550  -6.7538  -6.6534  -6.6486
    -3.5727  -3.5533  -3.4430  -3.4002  -3.2094  -3.1827  -2.8888  -2.8582
    -2.6496  -2.5843  -2.5126  -2.4766   7.7448   7.8505   7.9447   8.1190
     8.1337   8.1704   8.5609   8.7227   8.8545   8.8809   9.1636   9.1946
     9.2917   9.3596   9.4218   9.5486   9.6350   9.7301   9.9215   9.9908
    10.1545  10.2230  10.7838  10.8330  10.8373  10.9266  11.2747  11.3453
    11.4405  11.5041  11.7681  11.8393  11.8974  11.9414  12.0916  12.1609
    14.1662  14.2471  14.5059  14.5218  14.8027  14.8667  16.8911  16.9189
    17.2215  17.2510  17.5323  17.6104  17.6413  17.7138  18.1268  18.2536
    18.8800  19.0203  19.5108  19.6578  19.9266  20.0559  20.1291

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4666 0.2766 (  5574 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3993 -54.3992 -28.9767 -28.9766 -28.9425 -28.9425
   -28.9115 -28.9114 -26.4164 -26.4146 -26.3431 -26.3402 -26.2553 -26.2546
   -26.2241 -26.2232 -26.1975 -26.1964  -7.6362  -7.6305  -7.5408  -7.5331
    -7.1190  -7.1137  -6.9208  -6.9148  -6.7791  -6.7766  -6.7447  -6.7402
    -3.4455  -3.4112  -3.3648  -3.2870  -3.1791  -3.1255  -3.0261  -2.9980
    -2.6834  -2.6131  -2.5986  -2.5488   7.8273   7.9189   7.9788   8.1311
     8.3851   8.4070   8.7057   8.8148   8.8563   8.9197   8.9981   9.1115
     9.1867   9.2686   9.3404   9.4587   9.5889   9.6633   9.8210   9.9102
    10.2032  10.2470  10.4739  10.5348  11.0291  11.0719  11.1957  11.2692
    11.5092  11.5440  11.7399  11.7681  11.9811  12.0090  12.0526  12.1191
    14.2724  14.3207  14.5283  14.5462  14.8094  14.8444  16.9808  16.9970
    17.2864  17.3332  17.4800  17.5633  17.6039  17.6505  18.2201  18.3365
    18.8842  18.9728  19.4265  19.5931  19.8376  20.0011  20.1773

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1944 -57.1940 -54.3995 -54.3990 -28.9764 -28.9736 -28.9471 -28.9404
   -28.9136 -28.9104 -26.4058 -26.3867 -26.3703 -26.3636 -26.2474 -26.2417
   -26.2364 -26.2270 -26.1934 -26.1923  -7.6546  -7.5516  -7.5008  -7.3109
    -7.3018  -7.1547  -7.1340  -7.1100  -6.8830  -6.8332  -6.5605  -6.4995
    -3.8696  -3.4469  -3.4333  -3.3943  -3.1089  -3.0119  -2.8337  -2.7933
    -2.6788  -2.6483  -2.4627  -2.3849   7.5179   7.6427   7.9118   7.9533
     8.3431   8.3812   8.4443   8.6937   8.6973   8.9595   9.0138   9.2961
     9.3087   9.4111   9.4821   9.5635   9.7509   9.8137   9.8824  10.1965
    10.3260  10.4009  10.5516  10.8333  10.9459  10.9865  11.2897  11.3285
    11.3684  11.4342  11.5408  11.6130  11.9167  11.9667  12.1620  12.2252
    14.1014  14.3004  14.4879  14.6311  14.6336  14.7497  16.8270  16.9354
    17.0366  17.3141  17.4597  17.5195  17.7488  17.9884  18.0907  18.3491
    19.0625  19.2901  19.3851  19.7880  19.9332  20.1112  20.2002

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1383 (  5555 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3995 -54.3990 -28.9764 -28.9736 -28.9471 -28.9404
   -28.9136 -28.9103 -26.4089 -26.3855 -26.3700 -26.3603 -26.2480 -26.2421
   -26.2380 -26.2279 -26.1930 -26.1914  -7.6293  -7.5072  -7.4908  -7.3309
    -7.2984  -7.1557  -7.1234  -7.1099  -6.8744  -6.8608  -6.6131  -6.5493
    -3.7848  -3.4278  -3.3740  -3.3435  -3.1449  -3.0036  -2.8554  -2.8070
    -2.7645  -2.7091  -2.4428  -2.3757   7.5384   7.6520   7.9467   8.1304
     8.3321   8.4214   8.5158   8.6784   8.7142   8.9675   9.0404   9.1436
     9.3581   9.4534   9.5161   9.5707   9.6940   9.7915   9.9039  10.0128
    10.1002  10.3877  10.5617  10.7476  10.8254  10.9810  11.2646  11.3176
    11.3903  11.4840  11.6999  11.7492  11.8349  11.9697  12.1252  12.2482
    14.0950  14.3220  14.4961  14.6203  14.6789  14.7517  16.7901  17.0575
    17.1951  17.3259  17.4269  17.5148  17.7206  17.9542  18.0919  18.3398
    19.0910  19.2894  19.3534  19.7450  19.7961  19.9293  19.9712

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2766 (  5575 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3995 -54.3990 -28.9764 -28.9736 -28.9471 -28.9404
   -28.9136 -28.9103 -26.4127 -26.3855 -26.3673 -26.3563 -26.2493 -26.2429
   -26.2397 -26.2294 -26.1915 -26.1907  -7.5630  -7.4975  -7.4101  -7.3482
    -7.2952  -7.2292  -7.1184  -7.0700  -6.8687  -6.8441  -6.7051  -6.6705
    -3.5797  -3.3841  -3.2783  -3.2630  -3.2072  -3.0803  -2.9239  -2.8991
    -2.7999  -2.7512  -2.4234  -2.3911   7.6493   7.7870   7.8347   8.0368
     8.5032   8.5899   8.6853   8.7651   8.8648   9.0056   9.0274   9.1859
     9.3159   9.4319   9.4896   9.5390   9.5675   9.6475   9.7744   9.9044
    10.0388  10.2052  10.3013  10.4458  10.8195  10.9300  11.3322  11.3920
    11.5280  11.5384  11.8501  11.8622  11.9045  11.9683  12.0674  12.1585
    14.0851  14.3544  14.5147  14.6028  14.7524  14.7665  16.7365  17.0782
    17.3268  17.3698  17.5008  17.5828  17.7021  17.9166  18.1798  18.3238
    19.1232  19.2688  19.3079  19.5557  19.6549  19.7446  19.8256

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.0000 (  5552 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3994 -54.3991 -28.9781 -28.9758 -28.9453 -28.9410
   -28.9122 -28.9096 -26.4218 -26.4106 -26.3530 -26.3295 -26.2605 -26.2448
   -26.2359 -26.2297 -26.1909 -26.1869  -7.8625  -7.7349  -7.5038  -7.4738
    -7.3601  -7.2923  -6.9123  -6.8139  -6.6470  -6.6013  -6.5823  -6.5428
    -3.8373  -3.5638  -3.5278  -3.3948  -3.3450  -3.2092  -2.7648  -2.6225
    -2.5645  -2.5184  -2.4617  -2.3363   7.5655   7.6534   7.7135   7.7870
     7.9934   8.2204   8.7265   8.7411   8.8543   8.9089   9.0889   9.2118
     9.2344   9.3794   9.5142   9.6520   9.7259   9.8860  10.1584  10.2696
    10.3228  10.4573  10.5548  10.7600  10.8497  10.9828  11.0644  11.2574
    11.3074  11.4493  11.6418  11.6817  11.9527  12.0268  12.0625  12.2013
    13.9663  14.2337  14.4204  14.5747  14.7410  14.9231  16.7691  16.7801
    17.0227  17.2475  17.4857  17.6644  17.7222  17.8374  18.1561  18.3625
    19.0246  19.1854  19.4176  19.6508  19.9902  20.1139  20.1473

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.1383 (  5554 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3994 -54.3991 -28.9780 -28.9757 -28.9453 -28.9410
   -28.9121 -28.9096 -26.4187 -26.4079 -26.3570 -26.3336 -26.2609 -26.2456
   -26.2356 -26.2296 -26.1897 -26.1852  -7.8369  -7.7169  -7.5400  -7.4554
    -7.3557  -7.2444  -6.9018  -6.8260  -6.6923  -6.6308  -6.6014  -6.5765
    -3.7829  -3.4943  -3.4913  -3.3987  -3.2745  -3.1933  -2.8093  -2.7095
    -2.6595  -2.5766  -2.4105  -2.3151   7.6075   7.6587   7.8189   7.8550
     8.0802   8.2957   8.7191   8.7931   8.8272   8.9549   9.0442   9.1265
     9.2194   9.4234   9.5153   9.5674   9.7328   9.7998   9.9741  10.0668
    10.2428  10.5167  10.5436  10.7505  10.9301  10.9595  11.1395  11.2447
    11.3734  11.5277  11.5789  11.7682  11.8730  11.9867  12.0308  12.1256
    14.0760  14.2801  14.4467  14.5894  14.7252  14.9204  16.8790  16.9003
    16.9896  17.2453  17.4763  17.6275  17.6886  17.7830  18.1548  18.4415
    19.0022  19.2140  19.3950  19.5655  20.0060  20.0765  20.1049

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333 0.2766 (  5561 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3994 -54.3991 -28.9780 -28.9757 -28.9452 -28.9410
   -28.9121 -28.9096 -26.4199 -26.4074 -26.3553 -26.3333 -26.2621 -26.2468
   -26.2356 -26.2304 -26.1885 -26.1849  -7.7666  -7.6952  -7.5883  -7.5246
    -7.2276  -7.1627  -6.8986  -6.8623  -6.8005  -6.7158  -6.6196  -6.5968
    -3.6542  -3.5190  -3.3647  -3.2644  -3.1974  -3.1159  -2.9696  -2.9344
    -2.7097  -2.6406  -2.3736  -2.3240   7.7079   7.7558   7.8386   7.8856
     8.3947   8.5846   8.6744   8.7330   8.8192   8.9479   9.0679   9.1245
     9.2266   9.2491   9.4450   9.4486   9.5517   9.7409   9.8390  10.1113
    10.1794  10.2476  10.5618  10.6432  10.8432  10.9021  11.2810  11.4113
    11.4733  11.5338  11.6006  11.6834  11.8147  11.9361  12.0630  12.1197
    14.2003  14.2928  14.5432  14.6213  14.7101  14.8984  16.8903  16.9294
    17.1195  17.3944  17.4417  17.5859  17.6373  17.7402  18.2286  18.5914
    18.9356  19.1774  19.4096  19.4984  19.8603  19.9031  19.9771

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333-0.2766 (  5561 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3994 -54.3990 -28.9780 -28.9757 -28.9452 -28.9410
   -28.9121 -28.9096 -26.4234 -26.4098 -26.3504 -26.3289 -26.2625 -26.2468
   -26.2359 -26.2311 -26.1889 -26.1863  -7.7686  -7.6950  -7.5916  -7.5179
    -7.2294  -7.1614  -6.9043  -6.8611  -6.8009  -6.7123  -6.6179  -6.5980
    -3.6531  -3.5437  -3.3258  -3.2901  -3.1716  -3.1043  -2.9972  -2.9364
    -2.6975  -2.6536  -2.3550  -2.3399   7.6494   7.7049   7.8992   7.9938
     8.3739   8.5138   8.6474   8.7658   8.8423   8.9518   9.0388   9.1346
     9.1955   9.3485   9.3937   9.4286   9.6097   9.7306   9.9146   9.9507
    10.1760  10.2409  10.5866  10.7351  10.8264  10.9027  11.3001  11.3691
    11.4435  11.5374  11.5925  11.6851  11.8049  11.9677  12.0634  12.1329
    14.1764  14.2780  14.5596  14.6220  14.7166  14.8914  16.8673  16.9305
    17.1374  17.3960  17.4692  17.6157  17.6280  17.7592  18.2530  18.5455
    18.9362  19.1897  19.4199  19.5286  19.7359  19.8393  19.9817

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2333-0.1383 (  5554 PWs)   bands (ev):

   -57.1944 -57.1941 -54.3994 -54.3990 -28.9780 -28.9757 -28.9453 -28.9410
   -28.9121 -28.9096 -26.4245 -26.4117 -26.3491 -26.3267 -26.2615 -26.2454
   -26.2361 -26.2308 -26.1904 -26.1876  -7.8380  -7.7199  -7.5373  -7.4485
    -7.3590  -7.2461  -6.9037  -6.8270  -6.6935  -6.6300  -6.5988  -6.5755
    -3.7861  -3.5307  -3.4844  -3.3662  -3.2707  -3.1805  -2.8292  -2.7154
    -2.6496  -2.5841  -2.3904  -2.3288   7.5463   7.5943   7.9350   8.0165
     8.0492   8.1935   8.6443   8.7852   8.8671   8.9004   9.0767   9.1590
     9.2971   9.3698   9.5185   9.6386   9.6651   9.8040   9.9550  10.0375
    10.2039  10.4681  10.6231  10.8327  10.9191  11.0507  11.1176  11.2021
    11.3223  11.4787  11.5580  11.7996  11.8389  12.0131  12.0414  12.1717
    14.0411  14.2410  14.4776  14.5918  14.7387  14.9084  16.8356  16.8835
    17.0424  17.2958  17.4593  17.6556  17.7229  17.8098  18.1629  18.3877
    19.0047  19.1975  19.4314  19.6515  19.7965  19.9954  20.0127

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666-0.0000 (  5556 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3992 -54.3992 -28.9787 -28.9787 -28.9426 -28.9426
   -28.9099 -28.9098 -26.4285 -26.4284 -26.3202 -26.3202 -26.2670 -26.2670
   -26.2303 -26.2303 -26.1854 -26.1853  -7.9414  -7.9414  -7.5556  -7.5556
    -7.3340  -7.3339  -6.6181  -6.6181  -6.5984  -6.5984  -6.5340  -6.5339
    -3.6511  -3.6511  -3.5931  -3.5931  -3.4221  -3.4221  -2.6652  -2.6652
    -2.4484  -2.4484  -2.3308  -2.3307   7.4933   7.4933   7.6957   7.6957
     8.0589   8.0590   8.6919   8.6920   8.9438   8.9438   9.0869   9.0869
     9.4668   9.4668   9.6301   9.6301   9.7896   9.7896  10.1221  10.1221
    10.4968  10.4968  10.6095  10.6095  10.7765  10.7765  11.0526  11.0527
    11.5489  11.5489  11.8540  11.8540  11.9861  11.9861  12.0519  12.0519
    13.8942  13.8942  14.4663  14.4663  14.9710  14.9710  16.6541  16.6541
    17.0908  17.0909  17.5348  17.5348  17.8390  17.8390  18.3323  18.3324
    19.0090  19.0093  19.5042  19.5043  20.2170  20.2355  20.2580

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666 0.1383 (  5548 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3992 -54.3992 -28.9787 -28.9786 -28.9426 -28.9426
   -28.9099 -28.9098 -26.4279 -26.4271 -26.3230 -26.3212 -26.2673 -26.2666
   -26.2303 -26.2301 -26.1849 -26.1843  -7.9139  -7.9129  -7.6043  -7.6022
    -7.2685  -7.2667  -6.6948  -6.6934  -6.5903  -6.5897  -6.5395  -6.5387
    -3.6624  -3.6403  -3.5339  -3.4713  -3.3995  -3.3585  -2.7736  -2.7605
    -2.4616  -2.4236  -2.3671  -2.3424   7.5624   7.6087   7.7430   7.8160
     8.0691   8.0987   8.6634   8.7182   8.9311   9.0220   9.0624   9.0853
     9.4075   9.4450   9.4749   9.5526   9.7336   9.7867   9.8928   9.9722
    10.4427  10.5011  10.7029  10.7306  10.8732  10.8961  11.0257  11.0861
    11.5724  11.5993  11.7318  11.7703  11.8897  11.9234  11.9973  12.0662
    13.9853  14.0274  14.4764  14.4833  14.9591  14.9861  16.7567  16.7668
    17.0716  17.0822  17.4973  17.5221  17.8057  17.8287  18.3487  18.3984
    18.9675  19.0228  19.4959  19.5893  20.1087  20.1288  20.1969

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4666 0.2766 (  5528 PWs)   bands (ev):

   -57.1943 -57.1942 -54.3992 -54.3992 -28.9786 -28.9786 -28.9426 -28.9426
   -28.9098 -28.9098 -26.4262 -26.4257 -26.3257 -26.3247 -26.2670 -26.2666
   -26.2301 -26.2299 -26.1837 -26.1833  -7.8328  -7.8311  -7.7153  -7.7132
    -7.0964  -7.0948  -6.8782  -6.8771  -6.5754  -6.5745  -6.5556  -6.5548
    -3.5812  -3.5622  -3.4912  -3.4583  -3.2101  -3.1941  -2.9828  -2.9760
    -2.4639  -2.4303  -2.4150  -2.3876   7.6992   7.7421   7.9319   8.0940
     8.0981   8.2019   8.6569   8.6848   8.7740   8.8866   8.9990   9.0338
     9.2508   9.3156   9.3902   9.5074   9.7530   9.7812   9.9686  10.0733
    10.2640  10.4463  10.5430  10.6731  10.8975  10.9155  11.0896  11.1331
    11.4686  11.5717  11.6600  11.7306  11.8959  11.9195  12.0210  12.0498
    14.1470  14.1709  14.5054  14.5127  14.9600  14.9750  16.8510  16.8624
    17.1166  17.1300  17.4392  17.4581  17.7677  17.7791  18.5029  18.5494
    18.9131  18.9530  19.5711  19.6800  19.9499  19.9695  20.1816

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

     the Fermi energy is    15.8027 ev

!    total energy              =   -1462.84592916 Ry
     Harris-Foulkes estimate   =   -1462.84592914 Ry
     estimated scf accuracy    <       0.00000011 Ry

     The total energy is the sum of the following terms:

     one-electron contribution =    -390.35418899 Ry
     hartree contribution      =     309.49956896 Ry
     xc contribution           =    -287.59590902 Ry
     ewald contribution        =   -1094.63562410 Ry
     Hubbard energy            =       0.24022399 Ry
     smearing contrib. (-TS)   =      -0.00000000 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.70 Bohr mag/cell

     convergence has been achieved in  13 iterations

     Writing output data file YCrO3.save/

     init_run     :    142.25s CPU     27.00s WALL (       1 calls)
     electrons    :  15568.99s CPU   2604.84s WALL (       1 calls)

     Called by init_run:
     wfcinit      :    135.33s CPU     23.65s WALL (       1 calls)
     wfcinit:atom :      0.88s CPU      0.15s WALL (      66 calls)
     wfcinit:wfcr :    118.94s CPU     19.98s WALL (      66 calls)
     potinit      :      1.00s CPU      0.84s WALL (       1 calls)
     hinit0       :      2.56s CPU      1.77s WALL (       1 calls)

     Called by electrons:
     c_bands      :  14933.49s CPU   2496.40s WALL (      13 calls)
     sum_band     :    590.47s CPU     99.42s WALL (      13 calls)
     v_of_rho     :      1.35s CPU      0.25s WALL (      14 calls)
     v_h          :      0.38s CPU      0.06s WALL (      14 calls)
     v_xc         :      0.97s CPU      0.19s WALL (      14 calls)
     newd         :     44.73s CPU      8.92s WALL (      14 calls)
     mix_rho      :      1.37s CPU      0.29s WALL (      13 calls)

     Called by c_bands:
     init_us_2    :     20.98s CPU      3.50s WALL (    1848 calls)
     ccgdiagg     :  13798.10s CPU   2306.78s WALL (     898 calls)
     wfcrot       :   1233.95s CPU    206.17s WALL (     898 calls)

     Called by sum_band:
     sum_band:bec :      1.06s CPU      0.15s WALL (     858 calls)
     addusdens    :     56.54s CPU     10.16s WALL (      13 calls)

     Called by *cgdiagg:
     h_psi        :  10373.56s CPU   1733.79s WALL (  270738 calls)
     s_psi        :   2394.10s CPU    400.85s WALL (  540644 calls)
     cdiaghg      :     30.28s CPU      5.12s WALL (     898 calls)

     Called by h_psi:
     h_psi:pot    :   9985.62s CPU   1668.82s WALL (  270738 calls)
     h_psi:calbec :   1310.65s CPU    220.38s WALL (  270738 calls)
     vloc_psi     :   4028.46s CPU    673.17s WALL (  270738 calls)
     add_vuspsi   :   4640.16s CPU    774.52s WALL (  270738 calls)
     vhpsi        :    367.84s CPU     61.56s WALL (  270738 calls)
     h_1psi       :  10506.86s CPU   1756.74s WALL (  269840 calls)

     General routines
     calbec       :   2604.85s CPU    438.67s WALL (  813098 calls)
     fft          :      1.82s CPU      0.47s WALL (     150 calls)
     ffts         :      0.46s CPU      0.07s WALL (      54 calls)
     fftw         :   4254.33s CPU    710.95s WALL (  817926 calls)
     interpolate  :      0.62s CPU      0.14s WALL (      28 calls)
     davcio       :      0.01s CPU      0.04s WALL (      66 calls)


     Hubbard U routines
     new_ns       :      7.98s CPU      1.33s WALL (      13 calls)
     vhpsi        :    367.84s CPU     61.56s WALL (  270738 calls)

     PWSCF        :     4h21m CPU    43m52.38s WALL


   This run was terminated on:  19:20:51  12Nov2018            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
